Geometry & MOs

Info

ID:	265281
PubChem CID:	103516594
Reduced:	NCl2F2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	243.143471
ΔH_f, kcal/mol:	-110.62
Dipole, Da:	2.3
IP(EA), eV:	-9.52(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,2-difluoro-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=C(C=CC(=C1)Cl)Cl)C(F)F

DOS

IR

Vibrations