Geometry & MOs

Info

ID:	209387
PubChem CID:	80663968
Reduced:	SN3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	57.48
Dipole, Da:	2.29
IP(EA), eV:	-8.36(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methoxy]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSC2=NC=C(N=C2)N

DOS

IR

Vibrations