Geometry & MOs

Info

ID:	209332
PubChem CID:	80654561
Reduced:	SN3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	355.0087
ΔH_f, kcal/mol:	35.0
Dipole, Da:	2.88
IP(EA), eV:	-8.56(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-chlorophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CSCC2=NC(=CC(=N2)N)C

DOS

IR

Vibrations