Geometry & MOs

Info

ID:	89992
PubChem CID:	49965755
Reduced:	O3N4H18C21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	-4.9
Dipole, Da:	4.1
IP(EA), eV:	-8.88(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations