Geometry & MOs

Info

ID:	404699
PubChem CID:	135069678
Reduced:	NO6C20H21 (1)
Stoich.:	AB6C20D21 (1)
Weight, g/mol:	292.157563
ΔH_f, kcal/mol:	-199.41
Dipole, Da:	2.71
IP(EA), eV:	-8.63(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,10S,12S)-12-ethenyl-8,16-diazapentacyclo[10.6.1.01,10.02,7.016,19]nonadeca-2,4,6,13-tetraen-9-one

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/1\C2=C(C=CC(=C2)OC)N(C13CCC(=O)C=C3)C(=O)OC

DOS

IR

Vibrations