Geometry & MOs

Info

ID:	178197
PubChem CID:	76293884
Reduced:	N2O3C21H22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	400.142307
ΔH_f, kcal/mol:	-51.22
Dipole, Da:	2.79
IP(EA), eV:	-9.73(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxyphenyl)methyl 2-[(4-oxo-4aH-quinazolin-2-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC(C)CCOC(=O)C1=CC=CC=C1CC2=NC(=O)C3C=CC=CC3=N2

DOS

IR

Vibrations