Geometry & MOs

Info

ID:

400579

PubChem CID:

135048395

Reduced:

BNC35H48 (1)

Stoich.:

ABC35D48 (1)

Weight, g/mol:

505.387981

ΔHf, kcal/mol:

30.03

Dipole, Da:

0.95

IP(EA), eV:

 -7.92(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(E)-3-[bis[(1R,2S,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]boranyl]prop-1-enyl]-1,1-diphenylmethanimine

Drug info:

PubChemData

Smile

B(C/C=C/N(C1=CC=CC=C1)C2=CC=CC=C2)([C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)[C@H]5C[C@H]6C[C@@H]([C@@H]5C)C6(C)C

DOS

IR

Vibrations