Geometry & MOs

Info

ID:	289312
PubChem CID:	104344904
Reduced:	ClOSN3C15H18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	-3.41
Dipole, Da:	3.03
IP(EA), eV:	-8.98(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(methoxymethyl)-6-phenylsulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COCC)SC2=CC=C(C=C2)Cl

DOS

IR

Vibrations