Geometry & MOs

Info

ID:	291430
PubChem CID:	112378998
Reduced:	NSO2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-94.79
Dipole, Da:	5.1
IP(EA), eV:	-8.84(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-4-phenylbutan-2-yl)-1,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCSCCC(=O)NC(C)C(CC1=CC=CC=C1)O

DOS

IR

Vibrations