Geometry & MOs

Info

ID:	295532
PubChem CID:	117532516
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	266.996617
ΔH_f, kcal/mol:	-14.27
Dipole, Da:	6.11
IP(EA), eV:	-8.85(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(3,4-dichlorophenyl)pyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC=C(C(=N2)N)C=O)OC

DOS

IR

Vibrations