Geometry & MOs

Info

ID:	276105
PubChem CID:	103820606
Reduced:	ClNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-87.38
Dipole, Da:	3.83
IP(EA), eV:	-9.63(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(2-hydroxyethyl)pentyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCC(CCO)CNC(=O)/C=C/C1=CC=CC=C1Cl

DOS

IR

Vibrations