Geometry & MOs

Info

ID:	294457
PubChem CID:	117462063
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	42.27
Dipole, Da:	4.93
IP(EA), eV:	-8.62(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2=CC=CC=C2C3=CC(=NO3)N

DOS

IR

Vibrations