Geometry & MOs

Info

ID:	273190
PubChem CID:	103770655
Reduced:	BrNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-103.91
Dipole, Da:	1.95
IP(EA), eV:	-9.4(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-ethyl-2-hydroxypentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)/C=C/C1=CC=C(O1)Br)O

DOS

IR

Vibrations