Geometry & MOs

Info

ID:

376646

PubChem CID:

134222667

Reduced:

O3N4C33H40 (1)

Stoich.:

A3B4C33D40 (1)

Weight, g/mol:

532.250812

ΔHf, kcal/mol:

-78.57

Dipole, Da:

2.61

IP(EA), eV:

 -8.73(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-methyl-N-[4-[2-[[6-[4-(1-methylcyclobutyl)phenyl]-5-thiophen-3-ylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC1CC(C1)(C2=CC=C(C=C2)C3=C(C=C(C=N3)NC(=O)CC4CCC(CC4)N(C)C(=O)OC)C5=CC=CC=C5)N

DOS

IR

Vibrations