Geometry & MOs

Info

ID:	163752
PubChem CID:	74374142
Reduced:	N3O3C16H23 (1)
Stoich.:	A3B3C16D23 (1)
Weight, g/mol:	439.106562
ΔH_f, kcal/mol:	-109.23
Dipole, Da:	5.7
IP(EA), eV:	-9.42(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5,7-dimethoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2NC3CC(CC(C3C(=O)N2)OC)OC

DOS

IR

Vibrations