Geometry & MOs

Info

ID:	196959
PubChem CID:	78901815
Reduced:	BrO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	365.07389
ΔH_f, kcal/mol:	-43.77
Dipole, Da:	6.32
IP(EA), eV:	-9.47(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)Br)C)C(=O)NCCCO

DOS

IR

Vibrations