Geometry & MOs

Info

ID:	258683
PubChem CID:	103156307
Reduced:	O2N5C10H19 (1)
Stoich.:	A2B5C10D19 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-50.71
Dipole, Da:	7.37
IP(EA), eV:	-9.29(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(aminomethyl)-2-nitrophenoxy]-3-cyclopentylpropan-2-ol

Drug info:

PubChemData

Smile

CN1C=NC(=N1)CCNC(=O)CC(CN)OC

DOS

IR

Vibrations