Geometry & MOs

Info

ID:	391213
PubChem CID:	135003573
Reduced:	N3O6C17H19 (1)
Stoich.:	A3B6C17D19 (1)
Weight, g/mol:	274.087291
ΔH_f, kcal/mol:	-152.14
Dipole, Da:	10.75
IP(EA), eV:	-9.69(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-chloro-4-(2-methylbut-3-en-2-yl)-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CCO[C@@H]1C[C@@H](C2=C(O1)N(C(=O)N(C2=O)C)C)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations