Geometry & MOs

Info

ID:	30807
PubChem CID:	841954
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-90.63
Dipole, Da:	7.0
IP(EA), eV:	-8.6(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=C(C=CC(=C1)[C@@H]2C(=C(OC3=C2C(=O)CCC3)N)C#N)OC

DOS

IR

Vibrations