Geometry & MOs

Info

ID:	222219
PubChem CID:	85295316
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	234.100442
ΔH_f, kcal/mol:	-56.84
Dipole, Da:	5.52
IP(EA), eV:	-8.63(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-6-propan-2-yloxy-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)(CO)N(C)C=CC(=O)C1=CC=CC=C1

DOS

IR

Vibrations