Geometry & MOs

Info

ID:	276451
PubChem CID:	103823359
Reduced:	BrClN3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	362.9774
ΔH_f, kcal/mol:	76.34
Dipole, Da:	8.13
IP(EA), eV:	-8.54(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC2=NC(=CN2C=C1)CNC3=CC(=C(C=C3)Br)Cl

DOS

IR

Vibrations