Geometry & MOs

Info

ID:	26737
PubChem CID:	796053
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	311.145619
ΔH_f, kcal/mol:	-44.92
Dipole, Da:	5.25
IP(EA), eV:	-8.9(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-4-phenylpiperazine-1-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2OC

DOS

IR

Vibrations