Geometry & MOs

Info

ID:	178349
PubChem CID:	76313984
Reduced:	ClN5H12C16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	333.15896
ΔH_f, kcal/mol:	108.61
Dipole, Da:	4.13
IP(EA), eV:	-8.09(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC2=NC=C3C=C(NC3=C2)C4=CNN=C4)Cl

DOS

IR

Vibrations