Geometry & MOs

Info

ID:	320519
PubChem CID:	126661571
Reduced:	N2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	289.132746
ΔH_f, kcal/mol:	58.43
Dipole, Da:	4.27
IP(EA), eV:	-8.86(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-4-amine

Drug info:

PubChemData

Smile

C/C=C(/C=C)\N=C(C)C1=CN=CC(=C1)C

DOS

IR

Vibrations