Geometry & MOs

Info

ID:	69610
PubChem CID:	47205021
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	324.98845
ΔH_f, kcal/mol:	-32.21
Dipole, Da:	4.4
IP(EA), eV:	-9.61(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfanyl-N-(1H-pyrazol-5-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)NCC2=CC=NN2

DOS

IR

Vibrations