Geometry & MOs

Info

ID:

444961

PubChem CID:

135264052

Reduced:

O3N4C35H42 (1)

Stoich.:

A3B4C35D42 (1)

Weight, g/mol:

415.177503

ΔHf, kcal/mol:

-77.21

Dipole, Da:

8.13

IP(EA), eV:

 -8.78(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(CC(=O)OCC)C3=CC4=C(CCN(C4)C(=O)C5=C(C(=CC(=C5C)C)C)C)C(=C3)C)C)N=N1

DOS

IR

Vibrations