Geometry & MOs

Info

ID:	265925
PubChem CID:	103556808
Reduced:	SN3O3C14H23 (1)
Stoich.:	AB3C3D14E23 (1)
Weight, g/mol:	349.07897
ΔH_f, kcal/mol:	-100.18
Dipole, Da:	5.69
IP(EA), eV:	-9.36(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(N(N=C1CC2(CCC2)OC)C3CCS(=O)(=O)C3)N

DOS

IR

Vibrations