Geometry & MOs

Info

ID:	446700
PubChem CID:	135277012
Reduced:	BrFO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	482.285718
ΔH_f, kcal/mol:	-108.88
Dipole, Da:	2.4
IP(EA), eV:	-9.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-[(1R,3R)-2-[(3-fluorooxetan-3-yl)methyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-N-(3-fluoropropyl)-N'-methylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C2OCCO2)F)Br

DOS

IR

Vibrations