Geometry & MOs

Info

ID:	320150
PubChem CID:	126658486
Reduced:	N3O3C10H17 (2)
Stoich.:	A3B3C10D17 (2)
Weight, g/mol:	289.043648
ΔH_f, kcal/mol:	-259.27
Dipole, Da:	9.02
IP(EA), eV:	-9.44(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(3,4-dichlorophenyl)-7-fluoro-7-hydroxyheptanenitrile

Drug info:

PubChemData

Smile

CC(C)CC(C1=NC(=CO1)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations