Geometry & MOs

Info

ID:	148487
PubChem CID:	53788149
Reduced:	ClSN4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	402.241962
ΔH_f, kcal/mol:	55.13
Dipole, Da:	2.47
IP(EA), eV:	-8.49(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[5-[amino-(4-methylphenyl)methyl]imidazol-1-yl]methyl]-2-methylphenyl]-4-methylpiperidin-2-one

Drug info:

PubChemData

Smile

CC(C)SC1=NNC(=N1)NCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations