Geometry & MOs

Info

ID:	295531
PubChem CID:	117532500
Reduced:	ON3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	21.15
Dipole, Da:	4.93
IP(EA), eV:	-9.38(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(4-methoxy-3-methylphenyl)pyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC=C(C(=N2)N)C=O

DOS

IR

Vibrations