Geometry & MOs

Info

ID:	50347
PubChem CID:	12012869
Reduced:	ON2H16C19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	302.141913
ΔH_f, kcal/mol:	53.17
Dipole, Da:	3.37
IP(EA), eV:	-9.11(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-3-methyl-6-(1,2,3,5-tetrahydrobenzo[h][1,5]benzodiazepin-4-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C\1CNC2=CC3=CC=CC=C3C=C2N/C1=C/4\C=CC=CC4=O

DOS

IR

Vibrations