Geometry & MOs

Info

ID:	373688
PubChem CID:	131318800
Reduced:	BrOSN2H5C7 (1)
Stoich.:	ABCD2E5F7 (1)
Weight, g/mol:	213.132906
ΔH_f, kcal/mol:	23.37
Dipole, Da:	2.81
IP(EA), eV:	-10.2(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[3-(difluoromethyl)-4-methylphenyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC(=O)C1=C(SC(=N1)Br)CC#N

DOS

IR

Vibrations