Geometry & MOs

Info

ID:	32246
PubChem CID:	6436148
Reduced:	NO7C31H37 (1)
Stoich.:	AB7C31D37 (1)
Weight, g/mol:	392.194737
ΔH_f, kcal/mol:	-255.8
Dipole, Da:	4.83
IP(EA), eV:	-9.8(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetate

Drug info:

PubChemData

Smile

C/C=C\C1O[C@@]23CC[C@]([C@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)O)C)(O1)C(=O)COC(=O)C6=CC=NC=C6

DOS

IR

Vibrations