Geometry & MOs

Info

ID:	358193
PubChem CID:	127295738
Reduced:	N3O3C16H29 (1)
Stoich.:	A3B3C16D29 (1)
Weight, g/mol:	393.222784
ΔH_f, kcal/mol:	-163.15
Dipole, Da:	4.44
IP(EA), eV:	-9.05(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[2-(2,6-difluorophenyl)ethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NCCC(=O)N2CCCCC2

DOS

IR

Vibrations