Geometry & MOs

Info

ID:	273744
PubChem CID:	103799507
Reduced:	NSO5C13H19 (1)
Stoich.:	ABC5D13E19 (1)
Weight, g/mol:	269.173942
ΔH_f, kcal/mol:	-197.1
Dipole, Da:	3.46
IP(EA), eV:	-10.2(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=CC=C(C=C1)S(=O)(=O)C

DOS

IR

Vibrations