Geometry & MOs

Info

ID:	373679
PubChem CID:	131318685
Reduced:	NO2C8H17 (1)
Stoich.:	AB2C8D17 (1)
Weight, g/mol:	197.046823
ΔH_f, kcal/mol:	-101.42
Dipole, Da:	3.06
IP(EA), eV:	-9.29(1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(4-amino-6-chloro-2-methylpyrimidin-5-yl)acetonitrile

Drug info:

PubChemData

Smile

CC(COC)C1(CC(C1)N)O

DOS

IR

Vibrations