Geometry & MOs

Info

ID:	240922
PubChem CID:	93618213
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	252.220164
ΔH_f, kcal/mol:	-60.26
Dipole, Da:	3.29
IP(EA), eV:	-8.31(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)C1=NN(C(=O)C=C1)CCOC)N(C)C2=CC=CC=C2

DOS

IR

Vibrations