Geometry & MOs

Info

ID:	369427
PubChem CID:	127333365
Reduced:	FON3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	281.12949
ΔH_f, kcal/mol:	-77.59
Dipole, Da:	2.67
IP(EA), eV:	-8.75(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-2,4-dimethylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)NC2=C(C=CC(=C2)C)F)C

DOS

IR

Vibrations