Geometry & MOs

Info

ID:	217198
PubChem CID:	85087409
Reduced:	ClNO3H16C19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	341.155785
ΔH_f, kcal/mol:	-69.36
Dipole, Da:	2.37
IP(EA), eV:	-9.13(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-chlorophenyl)-4-[2-fluoroethyl(methyl)amino]cycloheptane-1-carboxylate

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)C(=O)CC2(C3=C(C=CC(=C3)Cl)NC2=O)O

DOS

IR

Vibrations