Geometry & MOs

Info

ID:	349346
PubChem CID:	127275133
Reduced:	SN2O4C14H26 (1)
Stoich.:	AB2C4D14E26 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-188.24
Dipole, Da:	4.98
IP(EA), eV:	-9.37(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(2-methyl-1,4-oxazepan-4-yl)acetamide

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)CN2CCCOC(C2)C

DOS

IR

Vibrations