Geometry & MOs

Info

ID:	45575
PubChem CID:	10515130
Reduced:	O3C15H26 (1)
Stoich.:	A3B15C26 (1)
Weight, g/mol:	254.034586
ΔH_f, kcal/mol:	-185.23
Dipole, Da:	2.61
IP(EA), eV:	-10.31(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(2,5-dimethoxyphenyl)-2-hydroxycyclobut-2-en-1-one

Drug info:

PubChemData

Smile

C[C@]12CCCC(C1CC[C@H]([C@H]2C(=O)OC)O)(C)C

DOS

IR

Vibrations