Geometry & MOs

Info

ID:	440671
PubChem CID:	135230880
Reduced:	OF3N5H18C20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	446.161741
ΔH_f, kcal/mol:	-118.08
Dipole, Da:	2.8
IP(EA), eV:	-9.06(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[4-[2-(2,2-difluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C(F)(F)F)C3=CN=C(C=C3)CC(=O)NC

DOS

IR

Vibrations