Geometry & MOs

Info

ID:	421143
PubChem CID:	135115440
Reduced:	SN3O5C19H29 (1)
Stoich.:	AB3C5D19E29 (1)
Weight, g/mol:	295.119988
ΔH_f, kcal/mol:	-194.2
Dipole, Da:	5.16
IP(EA), eV:	-8.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO)OC

DOS

IR

Vibrations