Geometry & MOs

Info

ID:	127218
PubChem CID:	50995045
Reduced:	FCl2N4O5H25C27 (1)
Stoich.:	AB2C4D5E25F27 (1)
Weight, g/mol:	395.199762
ΔH_f, kcal/mol:	-174.56
Dipole, Da:	5.15
IP(EA), eV:	-9.45(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-(methylamino)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCOCCOC1=C(C=C(C=N1)F)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=C(C=C(C=C4Cl)Cl)OCC

DOS

IR

Vibrations