Geometry & MOs

Info

ID:	147664
PubChem CID:	53787321
Reduced:	OC18H18 (1)
Stoich.:	AB18C18 (1)
Weight, g/mol:	370.080823
ΔH_f, kcal/mol:	36.58
Dipole, Da:	1.34
IP(EA), eV:	-9.0(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-2-[4-(trifluoromethyl)cyclohexyl]-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

Drug info:

PubChemData

Smile

CC(C=C=C)(C1=CC=C(C=C1)C2=CC=CC=C2)OC

DOS

IR

Vibrations