Geometry & MOs

Info

ID:	152602
PubChem CID:	56311573
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	471.236936
ΔH_f, kcal/mol:	-134.89
Dipole, Da:	4.45
IP(EA), eV:	-8.45(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations