Geometry & MOs

Info

ID:	364834
PubChem CID:	127316275
Reduced:	FON6C19H21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-5.84
Dipole, Da:	4.86
IP(EA), eV:	-9.18(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=CC(=CC(=C2N=C1C)C(=O)N3CCN(CC3)CC4=NC=CN4)F

DOS

IR

Vibrations