Geometry & MOs

Info

ID:	127834
PubChem CID:	51018842
Reduced:	O2N4C27H36 (1)
Stoich.:	A2B4C27D36 (1)
Weight, g/mol:	296.127326
ΔH_f, kcal/mol:	-61.1
Dipole, Da:	4.59
IP(EA), eV:	-8.53(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7S,10S)-4,12-dimethoxy-6,10-dimethyl-5,11-diazatetracyclo[5.5.0.02,6.03,10]dodeca-4,8,11-triene-1,9-dicarbonitrile

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)CCCCCN4C[C@@H]5C[C@H](C4)C6=CC=CC(=O)N6C5

DOS

IR

Vibrations