Geometry & MOs

Info

ID:	294395
PubChem CID:	117458520
Reduced:	ClN2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	284.129156
ΔH_f, kcal/mol:	-78.52
Dipole, Da:	2.25
IP(EA), eV:	-8.59(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chloro-2,5-dimethoxy-4-methylphenyl)methyl]piperazine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C2CC(CN2C)CN)O)OC)Cl

DOS

IR

Vibrations