Geometry & MOs

Info

ID:	30833
PubChem CID:	841985
Reduced:	N3O3C7H9 (1)
Stoich.:	A3B3C7D9 (1)
Weight, g/mol:	298.154209
ΔH_f, kcal/mol:	-99.12
Dipole, Da:	4.58
IP(EA), eV:	-10.31(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-6-amino-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)N2C(=O)NC(=O)C=N2

DOS

IR

Vibrations