Geometry & MOs

Info

ID:	85739
PubChem CID:	49878644
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	-62.97
Dipole, Da:	5.36
IP(EA), eV:	-9.18(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxyphenyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=NC3=C(N2CC1)N=CN(C3=O)CC(=O)NC4CCCC4

DOS

IR

Vibrations