Geometry & MOs

Info

ID:	443925
PubChem CID:	135260554
Reduced:	NOC5H8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	379.179696
ΔH_f, kcal/mol:	-77.29
Dipole, Da:	5.36
IP(EA), eV:	-9.89(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)O.CNCCC1=CC=CC=N1

DOS

IR

Vibrations