Geometry & MOs

Info

ID:	296481
PubChem CID:	117577681
Reduced:	N5C12H19 (1)
Stoich.:	A5B12C19 (1)
Weight, g/mol:	267.148396
ΔH_f, kcal/mol:	46.19
Dipole, Da:	5.17
IP(EA), eV:	-9.06(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(3,5-dimethylanilino)pyrimidin-4-yl]-methylamino]acetonitrile

Drug info:

PubChemData

Smile

CC(C)CCNC1=CC(=NC=N1)N(C)CC#N

DOS

IR

Vibrations