Geometry & MOs

Info

ID:	265924
PubChem CID:	103556807
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	313.146013
ΔH_f, kcal/mol:	17.37
Dipole, Da:	3.89
IP(EA), eV:	-8.67(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxothiolan-3-yl)-5-[(1-methoxycyclobutyl)methyl]-4-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(N(N=C1CC2(CCC2)OC)C3=CC=CC=C3)N

DOS

IR

Vibrations