Geometry & MOs

Info

ID:	34607
PubChem CID:	7978722
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	391.166269
ΔH_f, kcal/mol:	-130.56
Dipole, Da:	3.71
IP(EA), eV:	-9.08(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations