Geometry & MOs

Info

ID:	440657
PubChem CID:	135230827
Reduced:	O2F3N3C28H30 (1)
Stoich.:	A2B3C3D28E30 (1)
Weight, g/mol:	402.171911
ΔH_f, kcal/mol:	-152.76
Dipole, Da:	6.48
IP(EA), eV:	-8.11(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,6-difluoro-4-[(E)-prop-1-enyl]phenyl]-2-(2,2-difluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](N1CC(C)(C)F)C3=C(C=C(C=C3F)N4CC5(C4)CC5C(=O)O)F)NC6=CC=CC=C26

DOS

IR

Vibrations