Geometry & MOs

Info

ID:	445394
PubChem CID:	135266774
Reduced:	O2F3N5C24H26 (1)
Stoich.:	A2B3C5D24E26 (1)
Weight, g/mol:	232.147016
ΔH_f, kcal/mol:	-174.97
Dipole, Da:	2.95
IP(EA), eV:	-9.65(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(aminomethyl)-N-[2-methyl-2-[(Z)-1-(methylamino)-1-methylsulfanylprop-1-en-2-yl]hydrazinyl]methanimidamide

Drug info:

PubChemData

Smile

CC1(CCCC(C1)(C)CN(C2=C(C=CN2)C(F)(F)F)C(=O)O)CN3C=NC4=C3C=C(C=C4)C#N

DOS

IR

Vibrations