Geometry & MOs

Info

ID:	59360
PubChem CID:	24844195
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	350.03784
ΔH_f, kcal/mol:	-29.83
Dipole, Da:	4.42
IP(EA), eV:	-8.89(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)NC1=C(C=NN1)C2=CC=CC=C2

DOS

IR

Vibrations