Geometry & MOs

Info

ID:	34657
PubChem CID:	7978785
Reduced:	ClN3O3C20H26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	356.125133
ΔH_f, kcal/mol:	-90.06
Dipole, Da:	2.48
IP(EA), eV:	-8.66(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylcarbamoylamino)-2-oxoethyl] (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)OCC(=O)C2=C(N(C(=C2)C)C)C)Cl

DOS

IR

Vibrations