Geometry & MOs

Info

ID:	276100
PubChem CID:	103820565
Reduced:	BrClNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-91.98
Dipole, Da:	3.42
IP(EA), eV:	-9.64(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(CCO)CNC(=O)C1=C(C=C(C=C1)Cl)Br

DOS

IR

Vibrations