Geometry & MOs

Info

ID:	262416
PubChem CID:	103292404
Reduced:	ClN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	268.097855
ΔH_f, kcal/mol:	-90.7
Dipole, Da:	2.51
IP(EA), eV:	-9.25(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide

Drug info:

PubChemData

Smile

CCC1(CCCNC1)C(=O)NCC2=C(C=CC=C2Cl)OC

DOS

IR

Vibrations