Geometry & MOs

Info

ID:	41757
PubChem CID:	8147041
Reduced:	FO2N3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	-2.25
Dipole, Da:	9.15
IP(EA), eV:	-8.99(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC=CC=C2F)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations