Geometry & MOs

Info

ID:	38371
PubChem CID:	8033769
Reduced:	NC5H7 (3)
Stoich.:	AB5C7 (3)
Weight, g/mol:	413.148789
ΔH_f, kcal/mol:	26.83
Dipole, Da:	6.9
IP(EA), eV:	-8.38(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,6S)-2-amino-1'-benzyl-4,4-dimethoxy-2'-oxospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1C#N)N)CCC2=CCCCC2)C

DOS

IR

Vibrations