Geometry & MOs

Info

ID:	128283
PubChem CID:	51037659
Reduced:	BrClON6H18C19 (1)
Stoich.:	ABCD6E18F19 (1)
Weight, g/mol:	505.98884
ΔH_f, kcal/mol:	69.56
Dipole, Da:	3.04
IP(EA), eV:	-8.93(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(3,4-dibromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-4-(dimethylamino)but-2-enamide

Drug info:

PubChemData

Smile

CN(C)C/C=C/C(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)Br)Cl

DOS

IR

Vibrations