Geometry & MOs

Info

ID:	382587
PubChem CID:	134973845
Reduced:	IN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	342.16198
ΔH_f, kcal/mol:	44.98
Dipole, Da:	8.24
IP(EA), eV:	-8.84(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]-3-phenylprop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C13C=CC4=CC(=C(C=C4O3)I)[N+](=O)[O-])C)C

DOS

IR

Vibrations