Geometry & MOs

Info

ID:	400584
PubChem CID:	135048406
Reduced:	SB2O3C27H42 (1)
Stoich.:	AB2C3D27E42 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-194.98
Dipole, Da:	5.2
IP(EA), eV:	-8.98(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol

Drug info:

PubChemData

Smile

B1(C2CCCC1CCC2)C(B3C4CCCC3CCC4)CCCOS(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations