Geometry & MOs

Info

ID:	216855
PubChem CID:	85086885
Reduced:	O4N5C13H19 (1)
Stoich.:	A4B5C13D19 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	-104.39
Dipole, Da:	5.14
IP(EA), eV:	-9.96(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 1,3a,4,5-tetrahydropyrazolo[3,4-a]carbazole-8-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=NC(=O)C2C(=N1)N(C=N2)COCCO

DOS

IR

Vibrations