Geometry & MOs

Info

ID:	85221
PubChem CID:	49872564
Reduced:	NPC9O9H18 (1)
Stoich.:	ABC9D9E18 (1)
Weight, g/mol:	438.095805
ΔH_f, kcal/mol:	-480.32
Dipole, Da:	3.23
IP(EA), eV:	-10.3(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[[4-chloro-3-(trifluoromethyl)phenyl]methoxy]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C(CC(=O)O)C(=O)NCCOP(=O)(O)OCC(CO)O

DOS

IR

Vibrations