Geometry & MOs

Info

ID:	262034
PubChem CID:	103266935
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-36.02
Dipole, Da:	5.25
IP(EA), eV:	-9.06(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCNCC2=CC(=NO2)C(=O)O)C

DOS

IR

Vibrations