Geometry & MOs

Info

ID:	238745
PubChem CID:	92765375
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-50.52
Dipole, Da:	4.12
IP(EA), eV:	-8.54(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3C=CC=CC3=NC(C)C

DOS

IR

Vibrations