Geometry & MOs

Info

ID:	255856
PubChem CID:	103135219
Reduced:	N5C13H15 (1)
Stoich.:	A5B13C15 (1)
Weight, g/mol:	281.126323
ΔH_f, kcal/mol:	109.22
Dipole, Da:	2.35
IP(EA), eV:	-8.57(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-[(5-methyloxolan-2-yl)methoxy]-5-nitrophenyl]ethanol

Drug info:

PubChemData

Smile

CNC(C1=NN(C=C1)C)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations