Geometry & MOs

Info

ID:	139150
PubChem CID:	52483023
Reduced:	N4O8C21H22 (1)
Stoich.:	A4B8C21D22 (1)
Weight, g/mol:	323.148121
ΔH_f, kcal/mol:	-194.28
Dipole, Da:	12.94
IP(EA), eV:	-9.31(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CO2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C

DOS

IR

Vibrations