Geometry & MOs

Info

ID:	367318
PubChem CID:	127324125
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-70.17
Dipole, Da:	2.12
IP(EA), eV:	-9.0(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)NCC3=C4C(=CC=C3)OCO4

DOS

IR

Vibrations