Geometry & MOs

Info

ID:	302742
PubChem CID:	124394155
Reduced:	N2O8C21H26 (1)
Stoich.:	A2B8C21D26 (1)
Weight, g/mol:	279.102606
ΔH_f, kcal/mol:	-312.35
Dipole, Da:	3.88
IP(EA), eV:	-8.8(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(5-chloro-2-methoxyanilino)methylidene]cycloheptan-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations