Geometry & MOs

Info

ID:	440679
PubChem CID:	135230905
Reduced:	ClON6H21C23 (1)
Stoich.:	ABC6D21E23 (1)
Weight, g/mol:	436.196234
ΔH_f, kcal/mol:	80.64
Dipole, Da:	5.33
IP(EA), eV:	-8.0(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3,5-difluoro-4-[3-methyl-2-(3-methylbut-2-enyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1N)C2=CC3=C(C=C2)NC4=NC=C(C(=N4)C5=CNC6=C5C(=CC=C6)O3)Cl

DOS

IR

Vibrations