Geometry & MOs

Info

ID:	291230
PubChem CID:	111978218
Reduced:	OSN4C25H34 (1)
Stoich.:	ABC4D25E34 (1)
Weight, g/mol:	424.229683
ΔH_f, kcal/mol:	-13.44
Dipole, Da:	1.26
IP(EA), eV:	-8.76(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(naphthalen-1-ylmethyl)-3-[4-(thiomorpholine-4-carbonyl)cyclohexyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=CC2=CC=CC=C21)NC3CCC(CC3)C(=O)N4CCSCC4

DOS

IR

Vibrations