Geometry & MOs

Info

ID:	22991
PubChem CID:	600721
Reduced:	O2N3H23C25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	397.179027
ΔH_f, kcal/mol:	65.29
Dipole, Da:	6.54
IP(EA), eV:	-8.6(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)acetonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(C#N)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations