Geometry & MOs

Info

ID:	445251
PubChem CID:	135265519
Reduced:	BrNO5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	484.330108
ΔH_f, kcal/mol:	-145.67
Dipole, Da:	5.3
IP(EA), eV:	-8.49(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(1-hydroxydecylamino)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-methylamino]-2-methylchromen-2-ol

Drug info:

PubChemData

Smile

CN(C1CC(=O)OC2C1=CC=CC2)C3=CC(=C(C=C3)OC)OC(=O)CBr

DOS

IR

Vibrations