Geometry & MOs

Info

ID:

378553

PubChem CID:

134224643

Reduced:

NO2H43C64 (1)

Stoich.:

AB2C43D64 (1)

Weight, g/mol:

351.2926

ΔHf, kcal/mol:

200.54

Dipole, Da:

1.49

IP(EA), eV:

 -8.04(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[6-[(4-tert-butylcyclohexyl)methyl]naphthalen-2-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(CC3=CC4=C(C=C3)OC5=CC=CC=C54)C6=CC=CC(=C6)C7=CC=CC=C7C8=CC(=CC=C8)N(C9=CC1=CC=CC=C1C=C9)C1=CC2=C(C=C1)OC1=CC=CC=C12

DOS

IR

Vibrations