Geometry & MOs

Info

ID:	337304
PubChem CID:	127256986
Reduced:	BrO2N5C20H32 (1)
Stoich.:	AB2C5D20E32 (1)
Weight, g/mol:	275.088161
ΔH_f, kcal/mol:	-45.33
Dipole, Da:	1.98
IP(EA), eV:	-8.51(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2E)-2-ethoxyiminoethyl]-4-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(C([C@@H](C1)N(C)C/C(=C\CC2=NC=C(C=C2)C(=O)N)/OC)Br)C

DOS

IR

Vibrations