Geometry & MOs

Info

ID:	164878
PubChem CID:	74465010
Reduced:	N2O3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	392.080194
ΔH_f, kcal/mol:	-62.18
Dipole, Da:	6.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.907807
Charge, e:	1

Chem-info

IUPAC name:

(7-chloro-4-oxo-5H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-quinolin-8-ylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C(C)[NH+](C)CC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations