Geometry & MOs

Info

ID:	167629
PubChem CID:	74849706
Reduced:	ClFON5H27C32 (1)
Stoich.:	ABCD5E27F32 (1)
Weight, g/mol:	469.07495
ΔH_f, kcal/mol:	73.68
Dipole, Da:	4.19
IP(EA), eV:	-9.06(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-[[2-methoxyethyl-[(4-oxo-4aH-quinazolin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC(=NN34)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)F

DOS

IR

Vibrations