Geometry & MOs

Info

ID:	79583
PubChem CID:	49829618
Reduced:	N2O7C20H24 (1)
Stoich.:	A2B7C20D24 (1)
Weight, g/mol:	416.03717
ΔH_f, kcal/mol:	-288.26
Dipole, Da:	6.66
IP(EA), eV:	-9.59(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(3-bromophenoxy)butanoate

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2C(C1=O)[C@](NC2C3=CC=C(C=C3)OC(=O)C)(CO)C(=O)O

DOS

IR

Vibrations