Geometry & MOs

Info

ID:	325406
PubChem CID:	126683107
Reduced:	ClOSN6C18H19 (1)
Stoich.:	ABCD6E18F19 (1)
Weight, g/mol:	259.039151
ΔH_f, kcal/mol:	26.66
Dipole, Da:	7.23
IP(EA), eV:	-8.82(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(diaminomethylidene)-2-[(2,3-dichlorophenyl)methyl]guanidine

Drug info:

PubChemData

Smile

C1CSC[C@H]([C@H]1N)NC2=CN=C(C(=N2)C3=CC4=C(N3)C=CC(=C4)Cl)C(=O)N

DOS

IR

Vibrations