Geometry & MOs

Info

ID:	30811
PubChem CID:	841958
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-16.73
Dipole, Da:	6.08
IP(EA), eV:	-8.88(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-amino-5-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-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