Geometry & MOs

Info

ID:	244296
PubChem CID:	99319723
Reduced:	OSN5C25H27 (1)
Stoich.:	ABC5D25E27 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	50.07
Dipole, Da:	4.0
IP(EA), eV:	-8.74(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethoxy-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@@H](C)NC(=O)[C@H]3CCCN(C3)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations