Geometry & MOs

Info

ID:

423309

PubChem CID:

135119287

Reduced:

N3O3C19H23 (2)

Stoich.:

A3B3C19D23 (2)

Weight, g/mol:

386.231791

ΔHf, kcal/mol:

-166.38

Dipole, Da:

9.31

IP(EA), eV:

 -9.2(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[2-hydroxyethyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=CC=CC=C2C3=CC=CC=C3)C)CC4=CC=CC=C4

DOS

IR

Vibrations