Geometry & MOs

Info

ID:	296364
PubChem CID:	117570211
Reduced:	NOCl2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	-46.8
Dipole, Da:	5.87
IP(EA), eV:	-8.88(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-oxobutylamino)benzonitrile

Drug info:

PubChemData

Smile

CC(=O)CCNC1=CC(=CC(=C1)Cl)Cl

DOS

IR

Vibrations