Geometry & MOs

Info

ID:	415493
PubChem CID:	135088489
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	321.195346
ΔH_f, kcal/mol:	-6.29
Dipole, Da:	1.85
IP(EA), eV:	-9.47(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-imidazol-2-yl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine

Drug info:

PubChemData

Smile

CC(CNC(=O)CCCC1=NC(=NO1)C2=CC=CO2)N3C=CN=C3

DOS

IR

Vibrations