Geometry & MOs

Info

ID:	323776
PubChem CID:	126676140
Reduced:	F3N3O3C25H26 (1)
Stoich.:	A3B3C3D25E26 (1)
Weight, g/mol:	440.217203
ΔH_f, kcal/mol:	-223.51
Dipole, Da:	6.52
IP(EA), eV:	-8.73(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]cyclobutyl]-1,2-dihydrotriazol-5-yl]methyl N-butylcarbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(F)(F)F)COC2=CC=C(C=C2)C3=NC4CCN(CC4=CN3)CCC(=O)O

DOS

IR

Vibrations