Geometry & MOs

Info

ID:	73247
PubChem CID:	48417275
Reduced:	ON6H14C19 (1)
Stoich.:	AB6C14D19 (1)
Weight, g/mol:	305.12766
ΔH_f, kcal/mol:	110.1
Dipole, Da:	8.46
IP(EA), eV:	-9.24(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations