Geometry & MOs

Info

ID:	151857
PubChem CID:	56310675
Reduced:	N4O5C22H26 (1)
Stoich.:	A4B5C22D26 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-83.3
Dipole, Da:	5.95
IP(EA), eV:	-8.7(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations