Geometry & MOs

Info

ID:	425139
PubChem CID:	135125292
Reduced:	OF5N5H16C20 (1)
Stoich.:	AB5C5D16E20 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-167.18
Dipole, Da:	4.76
IP(EA), eV:	-9.69(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-(dimethylamino)-2-[2-(1-methyltriazol-4-yl)cyclopropanecarbonyl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)C2=C(C=CC(=N2)/C=C(/C3=NC=C(C=C3)C#N)\F)F

DOS

IR

Vibrations