Geometry & MOs

Info

ID:	28920
PubChem CID:	830656
Reduced:	N3H19C20 (1)
Stoich.:	A3B19C20 (1)
Weight, g/mol:	229.121512
ΔH_f, kcal/mol:	57.89
Dipole, Da:	6.2
IP(EA), eV:	-7.91(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethylphenoxy)-6-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NC3=C4C2=CC(=NC4=C(C=C3)C)C)C

DOS

IR

Vibrations