Geometry & MOs

Info

ID:

81904

PubChem CID:

49855332

Reduced:

ClO2N3C50H62 (1)

Stoich.:

AB2C3D50E62 (1)

Weight, g/mol:

548.245727

ΔHf, kcal/mol:

4.83

Dipole, Da:

2.65

IP(EA), eV:

 -8.45(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclobutyl-[4-(7-methoxy-8-propan-2-yloxy-1-thiophen-3-yl-4,5-dihydrobenzo[g]indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3

DOS

IR

Vibrations