Geometry & MOs

Info

ID:

416798

PubChem CID:

135090436

Reduced:

ON4C16H26 (1)

Stoich.:

AB4C16D26 (1)

Weight, g/mol:

614.379183

ΔHf, kcal/mol:

-27.12

Dipole, Da:

3.26

IP(EA), eV:

 -8.98(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-13-(piperidine-4-carbonyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N2CC[C@]3(CCCN([C@@H]3C2)C)CO)C

DOS

IR

Vibrations