Geometry & MOs

Info

ID:	48155
PubChem CID:	10537544
Reduced:	SN4C11H12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	104.86
Dipole, Da:	8.19
IP(EA), eV:	-8.28(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aR,5R,7bR)-3,3,5,7b-tetramethyl-1a,2,5,6-tetrahydro-1H-cyclopropa[h]azulene-4,7-dione

Drug info:

PubChemData

Smile

C1CN2C(=C3C=CC=CC3=NC(=S)N2C1)N

DOS

IR

Vibrations