Geometry & MOs

Info

ID:	27432
PubChem CID:	821314
Reduced:	ON2C10H14 (1)
Stoich.:	AB2C10D14 (1)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-41.99
Dipole, Da:	3.13
IP(EA), eV:	-8.16(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aS,2S,4aR,7S,7aS,7bR)-2-hydroxy-1,1,7-trimethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-one

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)N)C

DOS

IR

Vibrations