Geometry & MOs

Info

ID:	155340
PubChem CID:	56352929
Reduced:	ClO2F3N5H21C23 (1)
Stoich.:	AB2C3D5E21F23 (1)
Weight, g/mol:	475.15418
ΔH_f, kcal/mol:	-159.03
Dipole, Da:	9.06
IP(EA), eV:	-9.24(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[1-(5-chloropyridin-2-yl)piperidine-4-carbonyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)NC2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)N4C=CC(=N4)C(F)(F)F

DOS

IR

Vibrations