Geometry & MOs

Info

ID:	266589
PubChem CID:	103573443
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-70.02
Dipole, Da:	4.6
IP(EA), eV:	-9.53(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6-methyl-2-(1-propylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)CN2CC3CCCC3C2C(=O)O

DOS

IR

Vibrations