Geometry & MOs

Info

ID:	34481
PubChem CID:	7978526
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	330.109483
ΔH_f, kcal/mol:	-37.1
Dipole, Da:	5.2
IP(EA), eV:	-9.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylcarbamoylamino)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CC=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)C#N

DOS

IR

Vibrations