Geometry & MOs

Info

ID:	173307
PubChem CID:	75621965
Reduced:	SN2O5H16C17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	389.231456
ΔH_f, kcal/mol:	-68.76
Dipole, Da:	5.27
IP(EA), eV:	-9.27(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide

Drug info:

PubChemData

Smile

C1C2=C(C(=CC(=C2)[N+](=O)[O-])C=CC(=O)NCCC3=CC=CS3)OCO1

DOS

IR

Vibrations