Geometry & MOs

Info

ID:	30800
PubChem CID:	841938
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	327.140533
ΔH_f, kcal/mol:	5.28
Dipole, Da:	4.15
IP(EA), eV:	-9.12(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-4-phenylpiperazine-1-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)[C@H](C)NC(=O)C2=NC=CN=C2

DOS

IR

Vibrations