Geometry & MOs

Info

ID:

121130

PubChem CID:

50756761

Reduced:

NOC9H11 (3)

Stoich.:

ABC9D11 (3)

Weight, g/mol:

449.231456

ΔHf, kcal/mol:

-79.27

Dipole, Da:

2.72

IP(EA), eV:

 -8.89(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[(4-methoxyphenyl)methyl]-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)C2(CN3C4=C(C=C3C(=O)N2C5=CC(=C(C=C5)C)C)OC=C4)C

DOS

IR

Vibrations