Geometry & MOs

Info

ID:	265926
PubChem CID:	103556811
Reduced:	BrON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	335.06332
ΔH_f, kcal/mol:	19.01
Dipole, Da:	4.04
IP(EA), eV:	-8.86(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations