Geometry & MOs

Info

ID:	137157
PubChem CID:	52160167
Reduced:	NO4H9C11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	431.184506
ΔH_f, kcal/mol:	-121.91
Dipole, Da:	5.71
IP(EA), eV:	-9.42(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-[2-[(1R)-1-phenylpropyl]pyrazol-3-yl]-7-propan-2-yloxychromene-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CC(=O)O2)C(=O)N

DOS

IR

Vibrations