Geometry & MOs

Info

ID:	285877
PubChem CID:	104134480
Reduced:	ClON2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	310.144806
ΔH_f, kcal/mol:	-62.97
Dipole, Da:	4.77
IP(EA), eV:	-9.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-propan-2-ylpyridin-4-yl)-(4-ethoxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCCCN(C(C)CC)C(=O)C1=CC(=NC(=C1)Cl)CC

DOS

IR

Vibrations