Geometry & MOs

Info

ID:	84356
PubChem CID:	49865985
Reduced:	ON2C20H26 (1)
Stoich.:	AB2C20D26 (1)
Weight, g/mol:	324.220164
ΔH_f, kcal/mol:	-16.56
Dipole, Da:	2.76
IP(EA), eV:	-9.18(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(5-methylquinolin-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)CCC1(CCNC1)C(=O)C2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations