Geometry & MOs

Info

ID:

444948

PubChem CID:

135264035

Reduced:

O3N5C27H27 (1)

Stoich.:

A3B5C27D27 (1)

Weight, g/mol:

539.28964

ΔHf, kcal/mol:

-14.5

Dipole, Da:

6.06

IP(EA), eV:

 -9.33(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[2-(3,4-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(1-ethyl-4-methylbenzotriazol-5-yl)-N-methoxy-N-methylpropanamide

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(CC(=O)O)C3=CC4=C(CCN(C4)C(=O)C5=CC=CC=N5)C=C3)C)N=N1

DOS

IR

Vibrations