Geometry & MOs

Info

ID:	276825
PubChem CID:	103825409
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	279.194677
ΔH_f, kcal/mol:	-153.51
Dipole, Da:	3.08
IP(EA), eV:	-9.18(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)OCC(=O)NCC(C)(C)CCO)C

DOS

IR

Vibrations