Geometry & MOs

Info

ID:	77553
PubChem CID:	49655418
Reduced:	O4N5C13H21 (1)
Stoich.:	A4B5C13D21 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-98.12
Dipole, Da:	3.15
IP(EA), eV:	-9.31(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-hydroxyphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]oxamide

Drug info:

PubChemData

Smile

CNCCCNC(=O)C1=NC(=NO1)CC(=O)N2CCOCC2

DOS

IR

Vibrations