Geometry & MOs

Info

ID:	304260
PubChem CID:	124500046
Reduced:	ON3C18H29 (1)
Stoich.:	AB3C18D29 (1)
Weight, g/mol:	252.162649
ΔH_f, kcal/mol:	-35.86
Dipole, Da:	3.45
IP(EA), eV:	-8.3(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1[C@@H]2CCCCN2C(C)C)N3CCOCC3

DOS

IR

Vibrations