Geometry & MOs

Info

ID:	31088
PubChem CID:	854456
Reduced:	N3H7C13 (1)
Stoich.:	A3B7C13 (1)
Weight, g/mol:	318.111676
ΔH_f, kcal/mol:	114.33
Dipole, Da:	2.0
IP(EA), eV:	-9.66(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=CC(=C3C=CC=NC3=C2N=C1)C#N

DOS

IR

Vibrations