Geometry & MOs

Info

ID:	306427
PubChem CID:	125011669
Reduced:	N6C19H24 (1)
Stoich.:	A6B19C24 (1)
Weight, g/mol:	331.14514
ΔH_f, kcal/mol:	81.14
Dipole, Da:	4.72
IP(EA), eV:	-8.15(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)N2CCC[C@H](C2)C3=CN4C=CC=C4C(=N3)N(C)C

DOS

IR

Vibrations