Geometry & MOs

Info

ID:	306075
PubChem CID:	125001571
Reduced:	OSN4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-6.05
Dipole, Da:	4.51
IP(EA), eV:	-8.42(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-imidazol-1-yl-1-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)CC(=O)N[C@@H]2CCCN(C2)C3=CC=CC=N3

DOS

IR

Vibrations