Geometry & MOs

Info

ID:	28798
PubChem CID:	829697
Reduced:	N2O3C17H28 (1)
Stoich.:	A2B3C17D28 (1)
Weight, g/mol:	346.142976
ΔH_f, kcal/mol:	-111.82
Dipole, Da:	3.78
IP(EA), eV:	-8.69(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6-amino-3-methyl-4-(5-methylfuran-2-yl)-1-(4-methylphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC(C)OC[C@H](CN1CCN(CC1)C2=CC=CC=C2OC)O

DOS

IR

Vibrations