Geometry & MOs

Info

ID:	431624
PubChem CID:	135171720
Reduced:	SN3O5C21H33 (1)
Stoich.:	AB3C5D21E33 (1)
Weight, g/mol:	226.240899
ΔH_f, kcal/mol:	-130.87
Dipole, Da:	2.68
IP(EA), eV:	-8.41(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1,5-ditert-butyl-3-methylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)S(=O)C)C2=C(C=C(C=C2)C(C)CC(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations