Geometry & MOs

Info

ID:	153193
PubChem CID:	56312345
Reduced:	N4O5C21H28 (1)
Stoich.:	A4B5C21D28 (1)
Weight, g/mol:	441.226371
ΔH_f, kcal/mol:	-193.36
Dipole, Da:	3.68
IP(EA), eV:	-8.44(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1)CN2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations