Geometry & MOs

Info

ID:	127624
PubChem CID:	51009023
Reduced:	O3C18H26 (1)
Stoich.:	A3B18C26 (1)
Weight, g/mol:	316.06147
ΔH_f, kcal/mol:	-115.36
Dipole, Da:	3.43
IP(EA), eV:	-9.45(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6S,7S)-4-(4-chlorophenyl)-8-methyl-4,8-diazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione

Drug info:

PubChemData

Smile

CC[C@]12CC=C([C@@H](C1)[C@@H]3[C@H](C2=O)OC(O3)(CC)CC)C=C

DOS

IR

Vibrations