Geometry & MOs

Info

ID:	34681
PubChem CID:	7978820
Reduced:	ClN3O3C19H28 (1)
Stoich.:	AB3C3D19E28 (1)
Weight, g/mol:	417.181919
ΔH_f, kcal/mol:	-128.41
Dipole, Da:	6.04
IP(EA), eV:	-9.55(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-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)NC2CCCCC2)Cl

DOS

IR

Vibrations