Geometry & MOs

Info

ID:	146239
PubChem CID:	53658227
Reduced:	NO2C8H17 (1)
Stoich.:	AB2C8D17 (1)
Weight, g/mol:	298.076743
ΔH_f, kcal/mol:	-119.89
Dipole, Da:	2.24
IP(EA), eV:	-9.46(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3-chloro-6-methylpyridazin-4-yl)methylsulfanyl]ethyl]-3-cyano-2-methylguanidine

Drug info:

PubChemData

Smile

CC(C)C[C@@H](COC(=O)C)N

DOS

IR

Vibrations