Geometry & MOs

Info

ID:	39643
PubChem CID:	8141738
Reduced:	ClN3O3C21H32 (1)
Stoich.:	AB3C3D21E32 (1)
Weight, g/mol:	390.239282
ΔH_f, kcal/mol:	-153.7
Dipole, Da:	3.07
IP(EA), eV:	-8.65(0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-tert-butyl-2-[4-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CCN(CC2)CC(=O)NC(C)(C)C

DOS

IR

Vibrations