Geometry & MOs

Info

ID:	132817
PubChem CID:	51427035
Reduced:	N2O2H10C11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	404.148455
ΔH_f, kcal/mol:	12.17
Dipole, Da:	5.34
IP(EA), eV:	-9.03(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R)-6-amino-3-phenyl-4-(2,3,4-trimethoxyphenyl)-3a,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)[C@@H]2[C@H]3C(=NN=C3OC(=C2C#N)N)C4=CC=CC=C4)OC)OC

DOS

IR

Vibrations