Geometry & MOs

Info

ID:	340513
PubChem CID:	127262524
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	316.132411
ΔH_f, kcal/mol:	61.08
Dipole, Da:	4.61
IP(EA), eV:	-8.43(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-N-benzyl-3-indol-2-ylidene-1,2-dihydropyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C\1=CNN/C1=C/2\C=C3C=CC=CC3=N2

DOS

IR

Vibrations