Geometry & MOs

Info

ID:	174314
PubChem CID:	75750063
Reduced:	N4O4H26C27 (1)
Stoich.:	A4B4C26D27 (1)
Weight, g/mol:	392.186183
ΔH_f, kcal/mol:	-64.63
Dipole, Da:	6.48
IP(EA), eV:	-8.89(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[2-(6-methoxynaphthalen-2-yl)propanoyl]azanium

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1C(C2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)[O-])C(=O)[O-])C5=CC=CC=[NH+]5

DOS

IR

Vibrations