Geometry & MOs

Info

ID:	417691
PubChem CID:	135102500
Reduced:	ClO2N4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-19.53
Dipole, Da:	1.54
IP(EA), eV:	-10.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)C2=C(C=NN2)Cl)CC3=CC=NC=C3

DOS

IR

Vibrations