Geometry & MOs

Info

ID:	143368
PubChem CID:	53197612
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	399.05824
ΔH_f, kcal/mol:	-96.63
Dipole, Da:	7.92
IP(EA), eV:	-8.16(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)C(=O)N(C=N2)C3CCCCC3)C(=O)NC4=CC=C(C=C4)NC(=O)C

DOS

IR

Vibrations