Geometry & MOs

Info

ID:	302827
PubChem CID:	124396996
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	379.204848
ΔH_f, kcal/mol:	-82.28
Dipole, Da:	2.31
IP(EA), eV:	-9.4(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aS,7E)-7-benzylidene-5-methyl-2,3-diphenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations