Geometry & MOs

Info

ID:	130849
PubChem CID:	51116725
Reduced:	F3O3N4C18H25 (1)
Stoich.:	A3B3C4D18E25 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	-269.52
Dipole, Da:	8.26
IP(EA), eV:	-9.01(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CN(CCCNC(=O)NC1=CC=CC(=C1)C(=O)N2CCOCC2)CC(F)(F)F

DOS

IR

Vibrations