Geometry & MOs

Info

ID:	59361
PubChem CID:	24844197
Reduced:	BrO2N4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	-29.82
Dipole, Da:	5.47
IP(EA), eV:	-9.22(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamidoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCCNC(=O)C1=CC(=NN1)C2=CC(=CC=C2)Br

DOS

IR

Vibrations