Geometry & MOs

Info

ID:	178196
PubChem CID:	76293883
Reduced:	FN3O4H22C26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	350.163043
ΔH_f, kcal/mol:	-41.77
Dipole, Da:	6.01
IP(EA), eV:	-9.18(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC=CC=C2CC3=NC(=O)C4C=CC=CC4=N3)F

DOS

IR

Vibrations