Geometry & MOs

Info

ID:	152192
PubChem CID:	56311069
Reduced:	N4O5C24H26 (1)
Stoich.:	A4B5C24D26 (1)
Weight, g/mol:	443.220892
ΔH_f, kcal/mol:	-150.38
Dipole, Da:	3.41
IP(EA), eV:	-8.74(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-oxo-2-(2-phenylanilino)ethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations