Geometry & MOs

Info

ID:	358156
PubChem CID:	127295701
Reduced:	N3O3C14H27 (1)
Stoich.:	A3B3C14D27 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-142.82
Dipole, Da:	2.34
IP(EA), eV:	-9.05(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(1-phenylbutyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NCCN2CCOCC2

DOS

IR

Vibrations