Geometry & MOs

Info

ID:	34483
PubChem CID:	7978528
Reduced:	O4N5H15C19 (1)
Stoich.:	A4B5C15D19 (1)
Weight, g/mol:	323.103669
ΔH_f, kcal/mol:	-33.26
Dipole, Da:	4.79
IP(EA), eV:	-9.51(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NNC(=O)COC3=CC=C(C=C3)C#N

DOS

IR

Vibrations