Geometry & MOs

Info

ID:	373611
PubChem CID:	131317804
Reduced:	ON4C10H12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	211.085795
ΔH_f, kcal/mol:	33.3
Dipole, Da:	8.7
IP(EA), eV:	-9.77(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylpyridin-4-yl)amino]pyrimidine-4-carbonitrile

Drug info:

PubChemData

Smile

CNC1=NC(=O)C(=C(N1)C2CC2)CC#N

DOS

IR

Vibrations