Geometry & MOs

Info

ID:	26174
PubChem CID:	640059
Reduced:	N6O7C21H38 (1)
Stoich.:	A6B7C21D38 (1)
Weight, g/mol:	244.073559
ΔH_f, kcal/mol:	-362.88
Dipole, Da:	4.16
IP(EA), eV:	-10.02(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)N

DOS

IR

Vibrations