Geometry & MOs

Info

ID:	159994
PubChem CID:	57304346
Reduced:	PSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	415.23904
ΔH_f, kcal/mol:	-216.99
Dipole, Da:	4.99
IP(EA), eV:	-8.99(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(4-chlorophenyl)ethenyl]-3,3-dimethyl-N-[1-(4-methylpiperazin-1-yl)propoxy]cyclohexa-1,5-dien-1-amine

Drug info:

PubChemData

Smile

CCC(C)CC(C(=O)O)P(=O)(CSC1=CC=CC=C1)O

DOS

IR

Vibrations