Geometry & MOs

Info

ID:	314202
PubChem CID:	126620897
Reduced:	NPC21H44 (1)
Stoich.:	ABC21D44 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-83.91
Dipole, Da:	3.01
IP(EA), eV:	-8.46(3.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-(4-nitrophenoxy)pyrrolidin-1-yl]ethanol

Drug info:

PubChemData

Smile

CCC(C(C)C)PC(CC)C(C)C1CCCC(C1)CCNCC

DOS

IR

Vibrations