Geometry & MOs

Info

ID:	30812
PubChem CID:	841959
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-9.31
Dipole, Da:	6.16
IP(EA), eV:	-8.78(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2-amino-5-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-4,6,7,8-tetrahydrochromene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)[C@H]2C(=C(OC3=C2C(=O)CCC3)N)C#N

DOS

IR

Vibrations