Geometry & MOs

Info

ID:	167877
PubChem CID:	74889031
Reduced:	N2C9H12 (1)
Stoich.:	A2B9C12 (1)
Weight, g/mol:	445.193233
ΔH_f, kcal/mol:	38.62
Dipole, Da:	1.38
IP(EA), eV:	-9.19(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-fluorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C=C)CN

DOS

IR

Vibrations