Geometry & MOs

Info

ID:	203107
PubChem CID:	79779382
Reduced:	O2N3C8H13 (1)
Stoich.:	A2B3C8D13 (1)
Weight, g/mol:	295.03202
ΔH_f, kcal/mol:	-53.54
Dipole, Da:	8.03
IP(EA), eV:	-8.93(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromophenoxy)ethyl]-1-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC(CNC1=NN(C=C1)C)C(=O)O

DOS

IR

Vibrations