Geometry & MOs

Info

ID:

319034

PubChem CID:

126654264

Reduced:

FON4C23H23 (1)

Stoich.:

ABC4D23E23 (1)

Weight, g/mol:

423.171355

ΔHf, kcal/mol:

9.96

Dipole, Da:

4.88

IP(EA), eV:

 -9.72(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(7S)-9-(4-chlorophenyl)-3,11,12-trimethyl-5-oxa-4,8,12-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,8,10-pentaen-7-yl]-3,3-dimethylbutan-2-one

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=CC=CC=C3C(=N[C@H]2CC(=O)C(C)(C)C)C4=CC=C(C=C4)F

DOS

IR

Vibrations