Geometry & MOs

Info

ID:	443807
PubChem CID:	135260032
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	444.160912
ΔH_f, kcal/mol:	-59.73
Dipole, Da:	3.75
IP(EA), eV:	-9.37(-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-methoxyoxetan-3-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1C(=O)C2=CC=NN2)C)CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations