Geometry & MOs

Info

ID:	66003
PubChem CID:	46488073
Reduced:	FOSN4H13C15 (1)
Stoich.:	ABCD4E13F15 (1)
Weight, g/mol:	343.139528
ΔH_f, kcal/mol:	7.11
Dipole, Da:	8.03
IP(EA), eV:	-8.87(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CSC(=N2)C3=CN(N=C3)C

DOS

IR

Vibrations