Geometry & MOs

Info

ID:	428631
PubChem CID:	135167811
Reduced:	SN2C14H30 (1)
Stoich.:	AB2C14D30 (1)
Weight, g/mol:	159.104799
ΔH_f, kcal/mol:	-44.43
Dipole, Da:	1.77
IP(EA), eV:	-7.99(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-3H-cyclohepta[b]pyrrole

Drug info:

PubChemData

Smile

CC(C)(C)N1CCN(CC1)CCSC(C)(C)C

DOS

IR

Vibrations