Geometry & MOs

Info

ID:	295530
PubChem CID:	117532499
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	227.105862
ΔH_f, kcal/mol:	-16.36
Dipole, Da:	2.05
IP(EA), eV:	-8.99(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(4-ethylphenyl)pyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(CN)C2=NC=CN=C2)OC

DOS

IR

Vibrations