Geometry & MOs

Info

ID:	40357
PubChem CID:	8143988
Reduced:	SN6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	307.132077
ΔH_f, kcal/mol:	144.62
Dipole, Da:	0.95
IP(EA), eV:	-8.54(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-5-(4-nitrophenyl)-2-phenyl-3-prop-1-en-2-yl-3,4-dihydropyrazole

Drug info:

PubChemData

Smile

C1CN(CCN1CN2C(=S)N(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations