Geometry & MOs

Info

ID:	309110
PubChem CID:	126537395
Reduced:	ON7C24H35 (1)
Stoich.:	AB7C24D35 (1)
Weight, g/mol:	385.160183
ΔH_f, kcal/mol:	18.51
Dipole, Da:	3.18
IP(EA), eV:	-8.48(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-cyano-3-(fluoromethyl)phenyl]-3-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-2-methylpropanamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NNC(=N2)C(=O)NC(CCC(C)C)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations