Geometry & MOs

Info

ID:	172308
PubChem CID:	75495035
Reduced:	IOCl2N5C14H18 (1)
Stoich.:	ABC2D5E14F18 (1)
Weight, g/mol:	341.081016
ΔH_f, kcal/mol:	40.52
Dipole, Da:	4.5
IP(EA), eV:	-9.29(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,4-dichlorophenyl)ethyl]-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CNC(=NC)NC(C)C2=CC(=C(C=C2)Cl)Cl.I

DOS

IR

Vibrations