Geometry & MOs

Info

ID:	26108
PubChem CID:	638976
Reduced:	SN2O2C8H16 (1)
Stoich.:	AB2C2D8E16 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-104.11
Dipole, Da:	4.99
IP(EA), eV:	-8.99(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aR)-3a,6-dimethyl-3,4,7,8-tetrahydro-2H-azulen-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H](C(=N)S)NC(=O)OC(C)(C)C

DOS

IR

Vibrations