Geometry & MOs

Info

ID:	354830
PubChem CID:	127287590
Reduced:	FSN2O2C18H23 (1)
Stoich.:	ABC2D2E18F23 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-135.11
Dipole, Da:	3.38
IP(EA), eV:	-9.38(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(1-methylcyclohexyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC1NC(=O)C2CSC(C(=O)N2)CC3=CC=CC=C3F

DOS

IR

Vibrations