Geometry & MOs

Info

ID:	170655
PubChem CID:	75263714
Reduced:	NF2O6H19C26 (1)
Stoich.:	AB2C6D19E26 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-240.51
Dipole, Da:	9.31
IP(EA), eV:	-9.06(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-2-[[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methyl]-6H-quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=C(C=C3)CC(=O)O)C4=C(C=C(C=C4)F)F)O

DOS

IR

Vibrations