Geometry & MOs

Info

ID:	372465
PubChem CID:	131298082
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	178.085461
ΔH_f, kcal/mol:	-20.98
Dipole, Da:	1.3
IP(EA), eV:	-8.79(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(2-methoxypyrimidin-5-yl)propanenitrile

Drug info:

PubChemData

Smile

CC(C#N)(C1CC1)C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations