Geometry & MOs

Info

ID:	84355
PubChem CID:	49865965
Reduced:	NO2C38H59 (1)
Stoich.:	AB2C38D59 (1)
Weight, g/mol:	310.204513
ΔH_f, kcal/mol:	-143.23
Dipole, Da:	0.95
IP(EA), eV:	-8.83(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-quinolin-2-ylmethanone

Drug info:

PubChemData

Smile

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)NCCC6=CC=C(C=C6)O)C)CO

DOS

IR

Vibrations