Geometry & MOs

Info

ID:	69673
PubChem CID:	47205155
Reduced:	ClO2N4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-39.29
Dipole, Da:	4.67
IP(EA), eV:	-9.3(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-(pyridin-2-ylamino)propyl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)NC(=O)CCNC(=O)C2=CC(=CN2)Cl

DOS

IR

Vibrations