Geometry & MOs

Info

ID:	214249
PubChem CID:	84974783
Reduced:	SN3O5C15H21 (1)
Stoich.:	AB3C5D15E21 (1)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	-117.82
Dipole, Da:	10.12
IP(EA), eV:	-8.82(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylamino)phenyl]methyl]-3-(3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC(CCSC)C(=O)OC

DOS

IR

Vibrations