Geometry & MOs

Info

ID:	168718
PubChem CID:	75008998
Reduced:	NO4C31H47 (1)
Stoich.:	AB4C31D47 (1)
Weight, g/mol:	459.240959
ΔH_f, kcal/mol:	-120.02
Dipole, Da:	7.73
IP(EA), eV:	-6.3(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-pyrrolidin-1-ylpropoxy)phenyl]-3,4-dihydro-2H-chromen-6-ol

Drug info:

PubChemData

Smile

CC1(C2CCC3C4(CC(C(C4(CCC35C2(C5)CC6=C1ON=C6)C)C7(CCC(O7)C(C)(C)O)C)O)C)C

DOS

IR

Vibrations