Geometry & MOs

Info

ID:	258851
PubChem CID:	103157236
Reduced:	BrNOF2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	278.118591
ΔH_f, kcal/mol:	-138.87
Dipole, Da:	1.1
IP(EA), eV:	-9.14(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(3-cyclopentyl-2-hydroxypropyl)amino]benzonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2=C(C=C(C=C2Br)F)F)O

DOS

IR

Vibrations