Geometry & MOs

Info

ID:	265927
PubChem CID:	103556812
Reduced:	BrON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	14.64
Dipole, Da:	2.46
IP(EA), eV:	-8.62(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1(CCC1)CC2=C(C(=NN2)N)C3=CC(=CC=C3)Br

DOS

IR

Vibrations