Geometry & MOs

Info

ID:	162795
PubChem CID:	57570890
Reduced:	N2O7C22H22 (1)
Stoich.:	A2B7C22D22 (1)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-132.94
Dipole, Da:	8.34
IP(EA), eV:	-9.22(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-aminobutoxy)-6-(hydroxymethyl)pyridin-2-yl]methanol

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)N2CC(=C)C[C@H]2C(=O)OC)[N+](=O)[O-])OCC3=CC=CC=C3

DOS

IR

Vibrations