Geometry & MOs

Info

ID:	315355
PubChem CID:	126625686
Reduced:	IO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	459.168223
ΔH_f, kcal/mol:	-158.64
Dipole, Da:	2.92
IP(EA), eV:	-9.16(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N'-cyclobutyl-N-[5-(3-fluoro-4-methylphenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)OC1=CC=C(C=C1)COCCCI

DOS

IR

Vibrations