Geometry & MOs

Info

ID:	148463
PubChem CID:	53788125
Reduced:	O3N6H22C26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	76.56
Dipole, Da:	6.61
IP(EA), eV:	-8.37(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-phenylmethoxypyridin-2-yl)but-3-en-1-ol

Drug info:

PubChemData

Smile

CN1C=C(N=C1)C2=CC=C(C=C2)NC(=C3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C5=CC=C(C=C5)CN

DOS

IR

Vibrations