Geometry & MOs

Info

ID:	294413
PubChem CID:	117459637
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	285.195346
ΔH_f, kcal/mol:	-18.03
Dipole, Da:	5.52
IP(EA), eV:	-9.83(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

CC1=NN(N=C1)C2=CC=CC=C2C3(CCCCC3)C(=O)O

DOS

IR

Vibrations