Geometry & MOs

Info

ID:	446551
PubChem CID:	135275924
Reduced:	N2O3C10H14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	331.148476
ΔH_f, kcal/mol:	-94.21
Dipole, Da:	3.56
IP(EA), eV:	-10.05(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(3-fluoro-4-methylphenyl)-5-methylpyridin-2-yl]-3,8a-dihydroquinazoline

Drug info:

PubChemData

Smile

CCOC(=O)NC(CC(=C)C=C)N=C=O

DOS

IR

Vibrations