Geometry & MOs

Info

ID:	30808
PubChem CID:	841955
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-23.06
Dipole, Da:	6.36
IP(EA), eV:	-8.79(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-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

CC1=C(C(=NN1C)C)[C@H]2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N

DOS

IR

Vibrations