Geometry & MOs

Info

ID:	358250
PubChem CID:	127295795
Reduced:	OSN4C18H30 (1)
Stoich.:	ABC4D18E30 (1)
Weight, g/mol:	393.241627
ΔH_f, kcal/mol:	-53.48
Dipole, Da:	2.95
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(naphthalen-1-ylmethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(C)NC(=O)NC2CCN(CC2)CC3CCCC3

DOS

IR

Vibrations