Geometry & MOs

Info

ID:	46118
PubChem CID:	10522106
Reduced:	O3C23H30 (1)
Stoich.:	A3B23C30 (1)
Weight, g/mol:	354.197714
ΔH_f, kcal/mol:	-130.63
Dipole, Da:	2.54
IP(EA), eV:	-9.2(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2R)-1-(benzenesulfonyl)hexan-2-yl]-2-(methoxymethyl)pyrrolidin-1-amine

Drug info:

PubChemData

Smile

CC1(CCC=C2C1CCC(C2)(C)CC(=O)COC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations