Geometry & MOs

Info

ID:	447260
PubChem CID:	135281531
Reduced:	BrFNCl2O4H29C30 (1)
Stoich.:	ABCD2E4F29G30 (1)
Weight, g/mol:	337.103811
ΔH_f, kcal/mol:	-174.99
Dipole, Da:	3.4
IP(EA), eV:	-9.54(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]but-3-ynamide

Drug info:

PubChemData

Smile

CC[C@](C1CCOCC1)(C2=CC3=C(C(=C2)F)C(N(C3=O)CC4=C(C=C(C=C4)Cl)Br)(C5=CC=C(C=C5)Cl)OC)O

DOS

IR

Vibrations