Geometry & MOs

Info

ID:	443749
PubChem CID:	135259908
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	444.160912
ΔH_f, kcal/mol:	-75.0
Dipole, Da:	6.38
IP(EA), eV:	-8.98(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=CO2)C)CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations