Geometry & MOs

Info

ID:	173494
PubChem CID:	75644804
Reduced:	ON4H13C19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	405.143704
ΔH_f, kcal/mol:	122.11
Dipole, Da:	3.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.211271
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)-3a,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)[NH2+]N=C3C4=CC=CC5=C4C(=CC=C5)C3=O

DOS

IR

Vibrations