Geometry & MOs

Info

ID:	55424
PubChem CID:	17395384
Reduced:	N3O4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	372.01095
ΔH_f, kcal/mol:	-88.19
Dipole, Da:	5.22
IP(EA), eV:	-9.12(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 4-bromobenzoate

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)OCC2=NC(=O)C3=CC=CC(=C3N2)C)C

DOS

IR

Vibrations