Geometry & MOs

Info

ID:	30805
PubChem CID:	841951
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-31.01
Dipole, Da:	6.43
IP(EA), eV:	-8.85(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2-amino-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)[C@H]2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)C

DOS

IR

Vibrations