Geometry & MOs

Info

ID:	69648
PubChem CID:	47205083
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	312.96175
ΔH_f, kcal/mol:	-56.42
Dipole, Da:	5.24
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC(=O)NCC2=CC=NN2

DOS

IR

Vibrations