Geometry & MOs

Info

ID:	135885
PubChem CID:	51952748
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	-42.82
Dipole, Da:	4.02
IP(EA), eV:	-8.99(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-2-butyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCCCN1CC2=CC=CC=C2C[C@@H]1C(=O)N3CCCC3

DOS

IR

Vibrations