Geometry & MOs

Info

ID:	176443
PubChem CID:	76050056
Reduced:	FN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-108.86
Dipole, Da:	6.01
IP(EA), eV:	-9.33(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-hydroxyphenyl)methyl]-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CN(CCCOC1=CC=C(C=C1)F)C(=O)C2C=NC(=O)N2

DOS

IR

Vibrations