Geometry & MOs

Info

ID:	319734
PubChem CID:	126657137
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	406.189257
ΔH_f, kcal/mol:	-28.12
Dipole, Da:	8.68
IP(EA), eV:	-8.52(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methoxy-[3-[[(4R)-7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridin-4-yl]methanol

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C#N)C2=CC3=C(C=C2)[C@@H](CCO3)CNC4=C(C=CN=C4)C(O)O

DOS

IR

Vibrations