Geometry & MOs

Info

ID:	255916
PubChem CID:	103135612
Reduced:	SN5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	303.192232
ΔH_f, kcal/mol:	66.25
Dipole, Da:	6.87
IP(EA), eV:	-9.18(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(C1=NN(C=C1)C)C2=C(N=NS2)C(C)(C)C

DOS

IR

Vibrations