Geometry & MOs

Info

ID:	302172
PubChem CID:	124360309
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-104.59
Dipole, Da:	1.69
IP(EA), eV:	-9.34(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(2S)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CC2=CC=CC=C2CN1

DOS

IR

Vibrations