Geometry & MOs

Info

ID:	152979
PubChem CID:	56312084
Reduced:	O3N5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	368.209993
ΔH_f, kcal/mol:	-60.25
Dipole, Da:	2.94
IP(EA), eV:	-8.57(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=C(N(N=C2C)C3=CC=C(C=C3)C)C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations