Geometry & MOs

Info

ID:	248593
PubChem CID:	103082880
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	285.184112
ΔH_f, kcal/mol:	-38.86
Dipole, Da:	5.05
IP(EA), eV:	-9.01(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[1-(1-phenylpyrazol-4-yl)ethyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OCC#N)NC2CCC(C2)OC

DOS

IR

Vibrations