Geometry & MOs

Info

ID:	152194
PubChem CID:	56311072
Reduced:	N2O3C11H13 (2)
Stoich.:	A2B3C11D13 (2)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-121.21
Dipole, Da:	6.23
IP(EA), eV:	-8.62(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[1-(3-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations