Geometry & MOs

Info

ID:	391331
PubChem CID:	135004355
Reduced:	NSO2H21C24 (1)
Stoich.:	ABC2D21E24 (1)
Weight, g/mol:	239.1674
ΔH_f, kcal/mol:	18.63
Dipole, Da:	6.07
IP(EA), eV:	-8.38(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3aS,6aS)-N-benzyl-3a-methyl-6-methylidene-1,4,5,6a-tetrahydropentalen-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C/C(=C)C3=CC=CC=C3)/C4=CC=CC=C42

DOS

IR

Vibrations