Geometry & MOs

Info

ID:	416582
PubChem CID:	135089730
Reduced:	ON3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	360.171689
ΔH_f, kcal/mol:	-2.35
Dipole, Da:	6.6
IP(EA), eV:	-8.57(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-piperidin-1-yl-N-[(1-propylimidazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)CC3=C(N(C(=C3)C#N)C)C)OCC1

DOS

IR

Vibrations