Geometry & MOs

Info

ID:	350196
PubChem CID:	127277274
Reduced:	OSN4C15H24 (1)
Stoich.:	ABC4D15E24 (1)
Weight, g/mol:	253.215413
ΔH_f, kcal/mol:	-7.25
Dipole, Da:	4.08
IP(EA), eV:	-8.56(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-propan-2-yl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)NC1=NC2=C(S1)CCCC2)N(C)C3CC3

DOS

IR

Vibrations