Geometry & MOs

Info

ID:	126128
PubChem CID:	50952982
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-96.81
Dipole, Da:	5.64
IP(EA), eV:	-9.22(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-hydroxy-3-methylbut-1-ynyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCCCN(CC1=CC=CO1)C(=O)C2=CC(=O)NC(=C2)C

DOS

IR

Vibrations