Geometry & MOs

Info

ID:	374532
PubChem CID:	131331110
Reduced:	ON2C10H10 (1)
Stoich.:	AB2C10D10 (1)
Weight, g/mol:	174.090546
ΔH_f, kcal/mol:	38.74
Dipole, Da:	1.97
IP(EA), eV:	-9.59(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(2-cyclopropylpyrimidin-5-yl)acetonitrile

Drug info:

PubChemData

Smile

CN1C=C(C(=C1C#N)C2CC2)C=O

DOS

IR

Vibrations