Geometry & MOs

Info

ID:	296625
PubChem CID:	117586067
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	219.148396
ΔH_f, kcal/mol:	-36.8
Dipole, Da:	3.04
IP(EA), eV:	-8.32(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[ethyl(methyl)amino]-2-methylpyrimidin-4-yl]amino]propanenitrile

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2=CC=CN2)NCCC(=O)O

DOS

IR

Vibrations