Geometry & MOs

Info

ID:	310372
PubChem CID:	126579363
Reduced:	N3O3C12H13 (1)
Stoich.:	A3B3C12D13 (1)
Weight, g/mol:	354.02152
ΔH_f, kcal/mol:	-20.77
Dipole, Da:	4.76
IP(EA), eV:	-9.16(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 3-bromo-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N)COC2=NN(C=C2)O

DOS

IR

Vibrations