Geometry & MOs

Info

ID:	285539
PubChem CID:	104110570
Reduced:	ClNO2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	205.123342
ΔH_f, kcal/mol:	-69.72
Dipole, Da:	3.8
IP(EA), eV:	-9.45(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloropentan-2-yl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(CC(C)Cl)NC(=O)C1=COC2=CC=CC=C21

DOS

IR

Vibrations