Geometry & MOs

Info

ID:	315440
PubChem CID:	126626721
Reduced:	INO2H5C6 (2)
Stoich.:	ABC2D5E6 (2)
Weight, g/mol:	241.132746
ΔH_f, kcal/mol:	-85.99
Dipole, Da:	3.27
IP(EA), eV:	-9.8(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-diazepin-1-yl)phenyl]-2-methylguanidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C(N2C(=O)C(NC2=O)I)I

DOS

IR

Vibrations