Geometry & MOs

Info

ID:

414559

PubChem CID:

135087518

Reduced:

N7O8C38H51 (1)

Stoich.:

A7B8C38D51 (1)

Weight, g/mol:

330.205576

ΔHf, kcal/mol:

-341.28

Dipole, Da:

7.13

IP(EA), eV:

 -9.38(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(4-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C3=C(N=C4CCCC4=C3)OC)CC5=CC=CC=C5)[C@@H](C)O

DOS

IR

Vibrations