Geometry & MOs

Info

ID:	296895
PubChem CID:	117599848
Reduced:	O2N4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	230.140571
ΔH_f, kcal/mol:	-25.14
Dipole, Da:	5.49
IP(EA), eV:	-9.26(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyanamide;1-ethenyl-3-prop-2-enylpyridin-1-ium

Drug info:

PubChemData

Smile

C1CCC(CC1)C2(C(=O)N(C(=N2)N)C3CCOCC3)C4=CC=CC(=C4)C5=CN=CC=C5

DOS

IR

Vibrations