Geometry & MOs

Info

ID:

382771

PubChem CID:

134974105

Reduced:

NC25H30 (1)

Stoich.:

AB25C30 (1)

Weight, g/mol:

345.24565

ΔHf, kcal/mol:

46.13

Dipole, Da:

2.37

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.873087

Charge, e:

 0

Chem-info

IUPAC name:

N-[(Z)-[(4aR,9aR)-2,3,4,4a,9,9a-hexahydrofluoren-1-ylidene]methyl]-1-phenylpentan-1-amine

Drug info:

PubChemData

Smile

CCCCC(C1=CC=CC=C1)[N-]/C=C\2/CCC[C@@H]3[C@H]2CC4=CC=CC=C34

DOS

IR

Vibrations