Geometry & MOs

Info

ID:	90001
PubChem CID:	49965778
Reduced:	O3N4C25H26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	360.12224
ΔH_f, kcal/mol:	5.7
Dipole, Da:	4.81
IP(EA), eV:	-8.4(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-amino-5-cyano-4-naphthalen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetate

Drug info:

PubChemData

Smile

CCCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

DOS

IR

Vibrations