Geometry & MOs

Info

ID:	190298
PubChem CID:	77982380
Reduced:	N7C23H35 (1)
Stoich.:	A7B23C35 (1)
Weight, g/mol:	424.1657
ΔH_f, kcal/mol:	76.06
Dipole, Da:	7.35
IP(EA), eV:	-7.98(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[[1-[4-methylsulfanyl-2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]pyrrolidin-2-yl]methylideneamino]guanidine

Drug info:

PubChemData

Smile

CCCN(CCC)C1=CC=C(C=C1)N2C=CC=C2CN3CCCC3C=NN=C(N)N

DOS

IR

Vibrations