Geometry & MOs

Info

ID:	27438
PubChem CID:	821327
Reduced:	N2C9H10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	97.95
Dipole, Da:	8.65
IP(EA), eV:	-9.49(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aS,4aR,7R,7aS,7bS)-7-hydroxy-1,1,7-trimethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN=N2)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations