Geometry & MOs

Info

ID:	135884
PubChem CID:	51952747
Reduced:	F3O3N4C18H26 (1)
Stoich.:	A3B3C4D18E26 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	-248.32
Dipole, Da:	5.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754958
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)C2=C(N=CC=C2)OCC(F)(F)F

DOS

IR

Vibrations