Geometry & MOs

Info

ID:	45819
PubChem CID:	10517871
Reduced:	N2O3H14C17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	294.116841
ΔH_f, kcal/mol:	-44.86
Dipole, Da:	1.55
IP(EA), eV:	-8.74(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=NC(=CO1)C2=CC=C(C=C2)NC(=O)OC3=CC=CC=C3

DOS

IR

Vibrations