Geometry & MOs

Info

ID:	322606
PubChem CID:	126670634
Reduced:	NO2C55H101 (1)
Stoich.:	AB2C55D101 (1)
Weight, g/mol:	212.225249
ΔH_f, kcal/mol:	-281.04
Dipole, Da:	4.69
IP(EA), eV:	-8.82(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S)-2-tert-butyl-4-methyl-1-propan-2-ylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C\CCC(CCCCCCCC)C(=O)NC1=CC(=CC=C1)O

DOS

IR

Vibrations