Geometry & MOs

Info

ID:	40478
PubChem CID:	8144203
Reduced:	ClN2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	345.147727
ΔH_f, kcal/mol:	-87.48
Dipole, Da:	6.44
IP(EA), eV:	-9.1(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-[[(S)-furan-2-yl(phenyl)methyl]amino]ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)COC1=CC(=CC=C1)Cl)/C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations