Geometry & MOs

Info

ID:	317684
PubChem CID:	126645015
Reduced:	N2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	446.181727
ΔH_f, kcal/mol:	-92.42
Dipole, Da:	1.5
IP(EA), eV:	-8.06(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)N(CC(O2)(C)C)C3=CC=CC(=C3)N4CC(C4)C(=O)OC

DOS

IR

Vibrations