Geometry & MOs

Info

ID:	216306
PubChem CID:	85086021
Reduced:	O3N4C11H16 (1)
Stoich.:	A3B4C11D16 (1)
Weight, g/mol:	252.101111
ΔH_f, kcal/mol:	-74.08
Dipole, Da:	5.11
IP(EA), eV:	-8.88(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3a,4,5-tetrahydropyrazolo[3,4-a]carbazole-8-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C(=NNC1=C(NN=C1C)C)C(=O)C

DOS

IR

Vibrations