Geometry & MOs

Info

ID:	152673
PubChem CID:	56311702
Reduced:	N3O5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	471.236936
ΔH_f, kcal/mol:	-171.41
Dipole, Da:	3.58
IP(EA), eV:	-8.47(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations