Geometry & MOs

Info

ID:	443762
PubChem CID:	135259945
Reduced:	O2F5N6H19C21 (1)
Stoich.:	A2B5C6D19E21 (1)
Weight, g/mol:	432.140925
ΔH_f, kcal/mol:	-221.84
Dipole, Da:	3.0
IP(EA), eV:	-9.0(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3,4-difluoro-5-methoxyphenyl)methyl]triazol-4-yl]-2-[4-(3-fluorooxetan-3-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CC1(F)F)C2=NC=C(C=C2)CC(=O)NC3=NN(N=C3)CC4=CC(=C(C=C4)OC(F)F)F

DOS

IR

Vibrations