Geometry & MOs

Info

ID:	265930
PubChem CID:	103556823
Reduced:	ClON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	10.22
Dipole, Da:	1.68
IP(EA), eV:	-8.84(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-methoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)CC2(CCC2)OC)C3=CC=CC=C3Cl)N

DOS

IR

Vibrations