Geometry & MOs

Info

ID:	401726
PubChem CID:	135052290
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	301.017353
ΔH_f, kcal/mol:	-22.78
Dipole, Da:	3.46
IP(EA), eV:	-9.61(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[cyano-(2,4-dichlorophenyl)methyl]-phenylcyanamide

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC(C(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations