Geometry & MOs

Info

ID:	367362
PubChem CID:	127324314
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-66.96
Dipole, Da:	1.49
IP(EA), eV:	-9.05(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,2-dimethylcyclopropyl)methyl]-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)NCC3CC3(C)C)C

DOS

IR

Vibrations