Geometry & MOs

Info

ID:	141609
PubChem CID:	52901713
Reduced:	O2N4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	360.158626
ΔH_f, kcal/mol:	9.45
Dipole, Da:	3.44
IP(EA), eV:	-8.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-2-methyl-N-(1-methylpyrazol-4-yl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC(=O)[C@H]2[C@@H](N(C(=O)C3=CC=CC=C23)C)C4=CC=CC=C4

DOS

IR

Vibrations