Geometry & MOs

Info

ID:	213042
PubChem CID:	81062617
Reduced:	BrNO2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	289.07897
ΔH_f, kcal/mol:	-63.09
Dipole, Da:	3.35
IP(EA), eV:	-9.09(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-2,5-dimethylpyrazol-3-yl)methyl]-2-ethoxy-N-methylethanamine

Drug info:

PubChemData

Smile

CCOCCN(C)CCOC1=CC(=CC=C1)Br

DOS

IR

Vibrations