Geometry & MOs

Info

ID:	152672
PubChem CID:	56311701
Reduced:	N4O4C21H32 (1)
Stoich.:	A4B4C21D32 (1)
Weight, g/mol:	455.242021
ΔH_f, kcal/mol:	-183.78
Dipole, Da:	3.69
IP(EA), eV:	-8.6(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC(=O)NC(C)(C)C)C2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations