Geometry & MOs

Info

ID:	136237
PubChem CID:	52004809
Reduced:	OSN4H18C19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	344.148455
ΔH_f, kcal/mol:	43.73
Dipole, Da:	2.83
IP(EA), eV:	-8.71(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-1,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=NN2CCC(=O)NC3=CC4=C(C=C3)N=C(S4)C

DOS

IR

Vibrations