Geometry & MOs

Info

ID:	298471
PubChem CID:	117650040
Reduced:	SF2O3N7C26H27 (1)
Stoich.:	AB2C3D7E26F27 (1)
Weight, g/mol:	205.157898
ΔH_f, kcal/mol:	-107.04
Dipole, Da:	3.35
IP(EA), eV:	-8.69(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[methylamino(phenyl)methyl]butanimidamide

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5=C(C(=CC=C5)NS(=O)(=O)CCCF)F

DOS

IR

Vibrations