Geometry & MOs

Info

ID:	447251
PubChem CID:	135281474
Reduced:	ClO2N4C27H29 (1)
Stoich.:	AB2C4D27E29 (1)
Weight, g/mol:	349.084967
ΔH_f, kcal/mol:	9.55
Dipole, Da:	8.57
IP(EA), eV:	-8.19(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC2CCN(C2)C3=CC4=NC(=CN4C=C3)C5=CC(=C(C=C5OC)OC)Cl

DOS

IR

Vibrations