Geometry & MOs

Info

ID:	89960
PubChem CID:	49965607
Reduced:	O3N5H13C15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	465.139681
ΔH_f, kcal/mol:	-2.47
Dipole, Da:	3.65
IP(EA), eV:	-9.31(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-amino-5-cyano-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate

Drug info:

PubChemData

Smile

COC(=O)CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CN=CC=C3

DOS

IR

Vibrations