Geometry & MOs

Info

ID:	293801
PubChem CID:	117402553
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-19.29
Dipole, Da:	3.47
IP(EA), eV:	-8.81(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-tert-butyl-5-methoxy-2-methylphenyl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

CN1CCN(C(=O)C1)C2=CC=CC(=C2)C3CCNC3

DOS

IR

Vibrations