Geometry & MOs

Info

ID:	149923
PubChem CID:	53789605
Reduced:	SN3O6C21H27 (1)
Stoich.:	AB3C6D21E27 (1)
Weight, g/mol:	312.102941
ΔH_f, kcal/mol:	-155.91
Dipole, Da:	8.08
IP(EA), eV:	-9.68(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-4-oxobutanenitrile

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3)C

DOS

IR

Vibrations