Geometry & MOs

Info

ID:	441057
PubChem CID:	135232897
Reduced:	N2C5H6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	463.240183
ΔH_f, kcal/mol:	58.93
Dipole, Da:	3.08
IP(EA), eV:	-8.65(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-chlorocyclohepta-1,3-dien-1-yl)-N-cyclooctyl-2-[[(3E,5Z)-7-fluorohepta-1,3,5-trien-3-yl]-nitrosoamino]propanamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C2=CCCC(=N2)N

DOS

IR

Vibrations