Geometry & MOs

Info

ID:	73835
PubChem CID:	48420652
Reduced:	ON2H9C11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	413.173942
ΔH_f, kcal/mol:	61.52
Dipole, Da:	7.42
IP(EA), eV:	-9.66(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 4-(2-methyl-4-oxoquinazolin-3-yl)butanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C(N=N2)C(=O)OC(C3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations