Geometry & MOs

Info

ID:	367565
PubChem CID:	127324994
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-41.04
Dipole, Da:	6.97
IP(EA), eV:	-9.09(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-imidazol-1-ylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC(CC(C1)C2=O)C(=O)NCC3=CC(=CC=C3)N4C=CN=C4

DOS

IR

Vibrations