Geometry & MOs

Info

ID:

446414

PubChem CID:

135274798

Reduced:

N2H15C25 (2)

Stoich.:

A2B15C25 (2)

Weight, g/mol:

381.13034

ΔHf, kcal/mol:

268.92

Dipole, Da:

0.39

IP(EA), eV:

 -8.36(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-(5-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7(C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC2=C1C6=CC=C2)C1=CC=CC=C1

DOS

IR

Vibrations