Geometry & MOs

Info

ID:	354969
PubChem CID:	127287830
Reduced:	SN4O5C15H26 (1)
Stoich.:	AB4C5D15E26 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-217.4
Dipole, Da:	6.77
IP(EA), eV:	-9.67(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)N2CCN(CC2)C(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations