Geometry & MOs

Info

ID:	312897
PubChem CID:	126609596
Reduced:	NC13H17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	691.325751
ΔH_f, kcal/mol:	22.07
Dipole, Da:	3.62
IP(EA), eV:	-9.11(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[1-[3-[(2E)-2-acetyloxyiminooctanoyl]-1-(4-benzoylphenyl)indol-5-yl]-1-oxooctan-2-ylidene]amino] acetate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=C(C)C)C(=N)C

DOS

IR

Vibrations