Geometry & MOs

Info

ID:	153681
PubChem CID:	56312972
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	412.097009
ΔH_f, kcal/mol:	-1.5
Dipole, Da:	6.71
IP(EA), eV:	-8.99(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)N(C)CCCCCC2=CC(=NN2)C3=CC=CC=C3

DOS

IR

Vibrations