Geometry & MOs

Info

ID:	267683
PubChem CID:	103584675
Reduced:	SF2N2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	199.117256
ΔH_f, kcal/mol:	-66.9
Dipole, Da:	2.72
IP(EA), eV:	-8.51(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2,5-difluoro-4-methylaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)NCC2=CN=C(S2)C(C)(C)C)F

DOS

IR

Vibrations