Geometry & MOs

Info

ID:	56593
PubChem CID:	17487143
Reduced:	N2O2F3H13C15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	415.05315
ΔH_f, kcal/mol:	-184.03
Dipole, Da:	3.17
IP(EA), eV:	-9.8(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(2-methoxyethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC(=O)NCC2=CC=NC=C2)C(F)(F)F

DOS

IR

Vibrations