Geometry & MOs

Info

ID:	434616
PubChem CID:	135175354
Reduced:	N2O7C26H36 (1)
Stoich.:	A2B7C26D36 (1)
Weight, g/mol:	394.04923
ΔH_f, kcal/mol:	-263.48
Dipole, Da:	4.71
IP(EA), eV:	-8.72(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-3,3-difluoro-2-[[(1S)-2-methoxy-1-phenylethyl]amino]propanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCOCC(=O)NCCC2=CC=C(C=C2)OCCOCCOCC(=O)NC

DOS

IR

Vibrations