Geometry & MOs

Info

ID:	321993
PubChem CID:	126667692
Reduced:	ON3C21H33 (1)
Stoich.:	AB3C21D33 (1)
Weight, g/mol:	293.126323
ΔH_f, kcal/mol:	-49.69
Dipole, Da:	4.15
IP(EA), eV:	-8.13(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-nitro-4-[(1S,2S)-2-prop-2-enoxycyclopentyl]oxyphenyl]methanol

Drug info:

PubChemData

Smile

CNCCCCCCCCNC(=O)CCCC1=CNC2=CC=CC=C21

DOS

IR

Vibrations