Geometry & MOs

Info

ID:	248438
PubChem CID:	103081653
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-118.69
Dipole, Da:	4.73
IP(EA), eV:	-8.18(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2O1)CNC3CCC(C3)OC)OC

DOS

IR

Vibrations