Geometry & MOs

Info

ID:	128259
PubChem CID:	51036908
Reduced:	O2N3F6C20H23 (1)
Stoich.:	A2B3C6D20E23 (1)
Weight, g/mol:	479.200746
ΔH_f, kcal/mol:	-394.12
Dipole, Da:	9.57
IP(EA), eV:	-9.52(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(1R,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)C(=O)N2CC(C2)CC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N

DOS

IR

Vibrations