Geometry & MOs

Info

ID:	205511
PubChem CID:	80114754
Reduced:	NSF2O2C13H17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	225.132906
ΔH_f, kcal/mol:	-172.08
Dipole, Da:	8.15
IP(EA), eV:	-9.63(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)C(C2CCS(=O)(=O)C2)NC)F

DOS

IR

Vibrations