Geometry & MOs

Info

ID:	445396
PubChem CID:	135266803
Reduced:	FISO2N5H9C13 (1)
Stoich.:	ABCD2E5F9G13 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	21.53
Dipole, Da:	3.68
IP(EA), eV:	-8.96(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(6-ethynyl-3-methylcyclohexa-1,3-dien-1-yl)oxymethyl]phenyl]-2-methoxy-N-methylacetamide

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)OC(O2)(F)I)CSC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations