Geometry & MOs

Info

ID:	423519
PubChem CID:	135119666
Reduced:	OSN5C17H21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	403.22712
ΔH_f, kcal/mol:	26.34
Dipole, Da:	6.69
IP(EA), eV:	-9.02(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CN=CC(=N2)NCCC3=NC4=C(S3)CCC4

DOS

IR

Vibrations