Geometry & MOs

Info

ID:

441113

PubChem CID:

135233151

Reduced:

NO6C19H29 (1)

Stoich.:

AB6C19D29 (1)

Weight, g/mol:

488.41305

ΔHf, kcal/mol:

-250.83

Dipole, Da:

5.0

IP(EA), eV:

-9.13(-0.19)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1E,6E,8E)-12-[1,5-dimethyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]pyrrol-2-yl]-N,5,6,8,11-pentamethyl-10-methylidene-9-prop-1-en-2-yldodeca-1,6,8-trien-1-amine

Drug info:

PubChemData

Smile

CCC(C)C(=O)/C(=C(/C=C(/C(C)CC/C=C/NC(=O)OC)\OC=O)\O)/C

DOS

IR

Vibrations