Geometry & MOs

Info

ID:	255726
PubChem CID:	103134300
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	289.176582
ΔH_f, kcal/mol:	-69.42
Dipole, Da:	7.32
IP(EA), eV:	-8.57(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=CC=C(C=C2)CC(=S)N

DOS

IR

Vibrations