Geometry & MOs

Info

ID:	194336
PubChem CID:	78517818
Reduced:	BrO5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-173.96
Dipole, Da:	5.15
IP(EA), eV:	-9.54(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OC2CCOC2=O)Br

DOS

IR

Vibrations