Geometry & MOs

Info

ID:	205524
PubChem CID:	80116338
Reduced:	NF2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	266.145285
ΔH_f, kcal/mol:	-66.91
Dipole, Da:	0.98
IP(EA), eV:	-9.06(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-4-methyl-N-(4-methylsulfanylphenyl)pentanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)C2=C(C=C(C=C2)CNC)C)F

DOS

IR

Vibrations