Geometry & MOs

Info

ID:	320783
PubChem CID:	126663352
Reduced:	NC4H4 (2)
Stoich.:	AB4C4 (2)
Weight, g/mol:	278.127994
ΔH_f, kcal/mol:	75.12
Dipole, Da:	6.0
IP(EA), eV:	-9.85(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-methyl-4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]pent-2-enenitrile

Drug info:

PubChemData

Smile

CC1C=CC=NC(=C1)C#N

DOS

IR

Vibrations