Geometry & MOs

Info

ID:	245214
PubChem CID:	99437911
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	367.153206
ΔH_f, kcal/mol:	-98.82
Dipole, Da:	8.87
IP(EA), eV:	-9.41(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-methyl-2-oxochromen-4-yl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)NC3=CC=NN3C[C@@H]4CCOC4

DOS

IR

Vibrations