Geometry & MOs

Info

ID:	270080
PubChem CID:	103626164
Reduced:	BrFNSC13H13 (1)
Stoich.:	ABCDE13F13 (1)
Weight, g/mol:	300.164934
ΔH_f, kcal/mol:	7.34
Dipole, Da:	1.44
IP(EA), eV:	-9.37(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CNCCC2=CC=C(S2)Br

DOS

IR

Vibrations