Geometry & MOs

Info

ID:	194829
PubChem CID:	78594483
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	426.226705
ΔH_f, kcal/mol:	22.83
Dipole, Da:	3.13
IP(EA), eV:	-8.68(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2C=CC=CC2=N1)CC(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations