Geometry & MOs

Info

ID:	151851
PubChem CID:	56310669
Reduced:	O3N4C28H38 (1)
Stoich.:	A3B4C28D38 (1)
Weight, g/mol:	469.257671
ΔH_f, kcal/mol:	-97.42
Dipole, Da:	5.75
IP(EA), eV:	-8.52(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations