Geometry & MOs

Info

ID:	443768
PubChem CID:	135259958
Reduced:	O3N5C27H39 (1)
Stoich.:	A3B5C27D39 (1)
Weight, g/mol:	458.176562
ΔH_f, kcal/mol:	-45.85
Dipole, Da:	5.13
IP(EA), eV:	-8.42(-0.3)
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-[(3-methyloxetan-3-yl)methoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1C(=O)C2=CC=CC(=C2)CN3CCN(CC3)C)C)CC4(CC=CC=C4)C(=O)NO

DOS

IR

Vibrations