Geometry & MOs

Info

ID:	38057
PubChem CID:	8026678
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	415.9558
ΔH_f, kcal/mol:	-74.55
Dipole, Da:	8.97
IP(EA), eV:	-9.19(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclopentyl)-2-(2,6-dibromo-4-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)[C@@H](C)N(C)CC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations