Geometry & MOs

Info

ID:	278761
PubChem CID:	103837810
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	269.133969
ΔH_f, kcal/mol:	-67.18
Dipole, Da:	5.2
IP(EA), eV:	-8.67(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3,5-difluorobenzonitrile

Drug info:

PubChemData

Smile

CC(CNC1=NC=C(C=C1)C(=O)N(C)C)(CN(C)C)O

DOS

IR

Vibrations