Geometry & MOs

Info

ID:	309433
PubChem CID:	126546242
Reduced:	FON5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	39.54
Dipole, Da:	5.94
IP(EA), eV:	-8.83(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-2H-pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC/C=C(\C(=C/C(=C)C#N)\C1=CN=C(N=C1)NC(C)(C)C2=C(C=CC=N2)OC)/F

DOS

IR

Vibrations