Geometry & MOs

Info

ID:	30810
PubChem CID:	841957
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-16.64
Dipole, Da:	5.65
IP(EA), eV:	-8.87(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)[C@H]2C(=C(OC3=C2C(=O)CCC3)N)C#N)C

DOS

IR

Vibrations