Geometry & MOs

Info

ID:	34668
PubChem CID:	7978799
Reduced:	ClO2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	299.103669
ΔH_f, kcal/mol:	-8.05
Dipole, Da:	6.2
IP(EA), eV:	-9.5(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-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)OCC2=CC=C(C=C2)C#N)Cl

DOS

IR

Vibrations