Geometry & MOs

Info

ID:	317705
PubChem CID:	126645210
Reduced:	NO2C27H35 (1)
Stoich.:	AB2C27D35 (1)
Weight, g/mol:	459.213362
ΔH_f, kcal/mol:	-78.31
Dipole, Da:	1.48
IP(EA), eV:	-8.45(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-[3-[[methyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1C3=CC(=CC=C3)N4CC(C4)C(=O)OC)C(CCC2(C)C)(C)C

DOS

IR

Vibrations