Geometry & MOs

Info

ID:	369523
PubChem CID:	127334293
Reduced:	OSN4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	39.57
Dipole, Da:	2.04
IP(EA), eV:	-8.72(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCSC1)C(=O)C2=NC=CC(=C2)N3C=CC=N3

DOS

IR

Vibrations