Geometry & MOs

Info

ID:	304137
PubChem CID:	124496869
Reduced:	N3C18H29 (1)
Stoich.:	A3B18C29 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	-0.23
Dipole, Da:	2.61
IP(EA), eV:	-8.07(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[(2S)-2-(6-pyrrolidin-1-ylpyridin-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CN1CCCC[C@@H]1C2=CN=C(C=C2)N3CCCC3

DOS

IR

Vibrations