Geometry & MOs

Info

ID:	209874
PubChem CID:	80733060
Reduced:	ClN3O3C11H16 (1)
Stoich.:	AB3C3D11E16 (1)
Weight, g/mol:	338.9774
ΔH_f, kcal/mol:	-91.32
Dipole, Da:	3.23
IP(EA), eV:	-9.28(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromo-4-methylanilino)-6-chloro-2-methylpyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1=NC(=C(C(=N1)Cl)C=O)N(C)CC(COC)O

DOS

IR

Vibrations