Geometry & MOs

Info

ID:	289172
PubChem CID:	104338550
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	294.129217
ΔH_f, kcal/mol:	-54.95
Dipole, Da:	2.74
IP(EA), eV:	-8.29(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3,4-difluorophenyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)NC2=CC3=C(C=C2)OCCO3)N

DOS

IR

Vibrations