Geometry & MOs

Info

ID:	26637
PubChem CID:	794396
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-9.59
Dipole, Da:	3.11
IP(EA), eV:	-8.95(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4,4,7,7-tetramethyl-5-oxo-6,8-dihydrochromene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NN(C(=O)[C@@H]1[C@H](C)C[N+](=O)[O-])C2=CC=CC=C2

DOS

IR

Vibrations