Geometry & MOs

Info

ID:	40315
PubChem CID:	8143918
Reduced:	BrNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	-34.95
Dipole, Da:	5.25
IP(EA), eV:	-8.91(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-1-(pyrrolidin-1-ylmethyl)indazole

Drug info:

PubChemData

Smile

CCCCCC[C@H]1C[C@@H]1C(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations