Geometry & MOs

Info

ID:	30809
PubChem CID:	841956
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-21.77
Dipole, Da:	10.45
IP(EA), eV:	-8.83(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-amino-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-oxo-4,6,7,8-tetrahydrochromene-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