Geometry & MOs

Info

ID:	185961
PubChem CID:	77373838
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	427.210721
ΔH_f, kcal/mol:	-46.7
Dipole, Da:	4.88
IP(EA), eV:	-9.12(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[9-(3-hydroxypropylcarbamoyl)-4-methoxy-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-5-yl]propanoic acid

Drug info:

PubChemData

Smile

CCCN(C1CC2CCC(C1)N2C)C(=O)C3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations