Geometry & MOs

Info

ID:	13207
PubChem CID:	223143
Reduced:	N2O3C11H14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	222.100442
ΔH_f, kcal/mol:	-18.91
Dipole, Da:	6.86
IP(EA), eV:	-9.07(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-1-(3-nitrophenyl)propan-1-one

Drug info:

PubChemData

Smile

CN(C)CCC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations