Geometry & MOs

Info

ID:	196586
PubChem CID:	78851326
Reduced:	ClNO3C19H22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	396.17731
ΔH_f, kcal/mol:	-96.66
Dipole, Da:	3.59
IP(EA), eV:	-8.51(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)N(C)C(=O)CC2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations