Geometry & MOs

Info

ID:	258508
PubChem CID:	103154599
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	284.129156
ΔH_f, kcal/mol:	-53.61
Dipole, Da:	4.02
IP(EA), eV:	-8.31(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[1-(4-chlorophenyl)propyl]-3-methoxybutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=CC2=C(C=C1)SC=C2)CN

DOS

IR

Vibrations