Geometry & MOs

Info

ID:	312436
PubChem CID:	126604924
Reduced:	N3C11H15 (1)
Stoich.:	A3B11C15 (1)
Weight, g/mol:	486.225368
ΔH_f, kcal/mol:	42.87
Dipole, Da:	2.2
IP(EA), eV:	-8.27(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3,4-dihydroxyhexoxy)phenyl]-7-(4-ethenoxy-2-hydroxybutoxy)-4a,8a-dihydrochromen-2-one

Drug info:

PubChemData

Smile

CC1=C2C=CC=NN2C(=C1C)C(C)N

DOS

IR

Vibrations