Geometry & MOs

Info

ID:	134564
PubChem CID:	51714543
Reduced:	SN3O3C24H29 (1)
Stoich.:	AB3C3D24E29 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-84.44
Dipole, Da:	4.25
IP(EA), eV:	-8.59(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C([C@H](NC(=S)N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations