Geometry & MOs

Info

ID:	55748
PubChem CID:	17396365
Reduced:	NO2F3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	-205.57
Dipole, Da:	2.5
IP(EA), eV:	-9.13(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imidazol-1-yl-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC(F)(F)F

DOS

IR

Vibrations