Geometry & MOs

Info

ID:	317708
PubChem CID:	126645221
Reduced:	N2O2F3C24H25 (1)
Stoich.:	A2B2C3D24E25 (1)
Weight, g/mol:	382.144806
ΔH_f, kcal/mol:	-191.56
Dipole, Da:	6.77
IP(EA), eV:	-8.55(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-(7-chloro-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)phenyl]azetidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC1=CN(C2=C1C=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)N4CC(C4)C(=O)OC

DOS

IR

Vibrations