Geometry & MOs

Info

ID:	187616
PubChem CID:	77598061
Reduced:	NF2O3C10H14 (2)
Stoich.:	AB2C3D10E14 (2)
Weight, g/mol:	338.124212
ΔH_f, kcal/mol:	-458.07
Dipole, Da:	3.14
IP(EA), eV:	-9.1(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzofuran-2-yl)-7-(trifluoromethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)CN(CC1=C(C(=CC=C1)F)C(F)(F)F)C2CCNC2.C(C(C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations