Geometry & MOs

Info

ID:	273915
PubChem CID:	103805830
Reduced:	ClON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	304.119876
ΔH_f, kcal/mol:	-57.39
Dipole, Da:	3.2
IP(EA), eV:	-9.24(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-aminocyclohexyl]-2-fluoro-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)N)NC(=O)CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations