Geometry & MOs

Info

ID:	145453
PubChem CID:	53527747
Reduced:	ON4C17H26 (1)
Stoich.:	AB4C17D26 (1)
Weight, g/mol:	367.114376
ΔH_f, kcal/mol:	-36.73
Dipole, Da:	6.35
IP(EA), eV:	-9.97(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-N-[2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C=NC=N4

DOS

IR

Vibrations