Geometry & MOs

Info

ID:	403893
PubChem CID:	135062439
Reduced:	N2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	345.17625
ΔH_f, kcal/mol:	-41.03
Dipole, Da:	5.54
IP(EA), eV:	-8.75(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,8aR)-3a-methyl-2-(4-methylphenyl)sulfonyl-5-propan-2-yl-1,3,6,8a-tetrahydrocyclohepta[c]pyrrole

Drug info:

PubChemData

Smile

CCO/C=C/C1=CC2=C(NC(=O)C2)N=C1

DOS

IR

Vibrations