Geometry & MOs

Info

ID:	358129
PubChem CID:	127295674
Reduced:	N3O3C16H31 (1)
Stoich.:	A3B3C16D31 (1)
Weight, g/mol:	363.198048
ΔH_f, kcal/mol:	-155.1
Dipole, Da:	2.94
IP(EA), eV:	-8.84(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)N(C)CC1CCCOC1)N2CCOCC2

DOS

IR

Vibrations