Geometry & MOs

Info

ID:	30226
PubChem CID:	840843
Reduced:	ClN5C10H10 (1)
Stoich.:	AB5C10D10 (1)
Weight, g/mol:	284.188863
ΔH_f, kcal/mol:	72.47
Dipole, Da:	3.96
IP(EA), eV:	-8.9(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3,4-dimethylbenzamide

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=N1)Cl)NC2=CC=CC=C2

DOS

IR

Vibrations