Geometry & MOs

Info

ID:	435445
PubChem CID:	135191477
Reduced:	N8H20C21 (1)
Stoich.:	A8B20C21 (1)
Weight, g/mol:	137.095297
ΔH_f, kcal/mol:	150.88
Dipole, Da:	3.04
IP(EA), eV:	-8.4(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methanimidoylcyclohexa-1,5-diene-1,3-diamine

Drug info:

PubChemData

Smile

C1CC1NC2=NC(=NC3=C2C(=CN3)C4=CC=NC=C4)NC5=CC(=C(C=C5)C=N)N

DOS

IR

Vibrations