Geometry & MOs

Info

ID:	367351
PubChem CID:	127324303
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-51.33
Dipole, Da:	5.59
IP(EA), eV:	-9.31(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1CNC(=O)N3CCNC(=O)CC3C4=CC=CC=C4

DOS

IR

Vibrations