Geometry & MOs

Info

ID:	152956
PubChem CID:	56312055
Reduced:	FOSN4C19H21 (1)
Stoich.:	ABCD4E19F21 (1)
Weight, g/mol:	424.227454
ΔH_f, kcal/mol:	-6.77
Dipole, Da:	5.68
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NC2=C(C=CS2)C#N)CC3=CC=CC=C3F

DOS

IR

Vibrations