Geometry & MOs

Info

ID:	324511
PubChem CID:	126677789
Reduced:	IN3O5H12C14 (1)
Stoich.:	AB3C5D12E14 (1)
Weight, g/mol:	409.226646
ΔH_f, kcal/mol:	-32.77
Dipole, Da:	3.2
IP(EA), eV:	-9.55(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2,6-bis(2,5-dimethylpyrrol-1-yl)pyridin-4-yl]methyl]-1-methylindazole

Drug info:

PubChemData

Smile

C1[C@H](C(CO1)N2C=CC(=N2)I)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations