Geometry & MOs

Info

ID:	34591
PubChem CID:	7978703
Reduced:	N2O4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	405.181919
ΔH_f, kcal/mol:	-160.95
Dipole, Da:	3.78
IP(EA), eV:	-9.26(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations