Geometry & MOs

Info

ID:	270959
PubChem CID:	103639005
Reduced:	BrNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	307.03202
ΔH_f, kcal/mol:	-68.26
Dipole, Da:	4.82
IP(EA), eV:	-9.46(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2CCOC2

DOS

IR

Vibrations