Geometry & MOs

Info

ID:	432571
PubChem CID:	135172704
Reduced:	O3N4C28H28 (1)
Stoich.:	A3B4C28D28 (1)
Weight, g/mol:	168.137497
ΔH_f, kcal/mol:	-14.15
Dipole, Da:	6.15
IP(EA), eV:	-8.91(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2,3-diamino-N-ethenyl-N'-ethylbut-2-enimidamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(CC2C3=CC=CC=C3C4=CN=CN24)O)C(=O)COC5=CC6=C(C=C5)N=CC=C6

DOS

IR

Vibrations