Geometry & MOs

Info

ID:	32174
PubChem CID:	6435751
Reduced:	O7H14C17 (1)
Stoich.:	A7B14C17 (1)
Weight, g/mol:	540.283552
ΔH_f, kcal/mol:	-233.08
Dipole, Da:	4.77
IP(EA), eV:	-8.82(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-but-2-enedioic acid;(4-methoxycyclohexyl) (6aR,9R,10aR)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2O)O)C(=O)O)O

DOS

IR

Vibrations