Geometry & MOs

Info

ID:	152760
PubChem CID:	56311825
Reduced:	N3O6C24H31 (1)
Stoich.:	A3B6C24D31 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-197.19
Dipole, Da:	2.55
IP(EA), eV:	-8.54(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-(4-methoxyanilino)-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations