Geometry & MOs

Info

ID:	64057
PubChem CID:	29195917
Reduced:	SN3O4C25H37 (1)
Stoich.:	AB3C4D25E37 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-171.61
Dipole, Da:	10.2
IP(EA), eV:	-8.77(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-4-(5-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCNC(=O)CC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations