Geometry & MOs

Info

ID:	358102
PubChem CID:	127295647
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	375.232205
ΔH_f, kcal/mol:	-108.38
Dipole, Da:	3.85
IP(EA), eV:	-9.41(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[2-(4-fluorophenyl)ethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CCCN(CC1)C(=O)CC2CCCC2

DOS

IR

Vibrations