Geometry & MOs

Info

ID:	130278
PubChem CID:	51075490
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-119.56
Dipole, Da:	5.58
IP(EA), eV:	-9.21(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3-chlorobenzoyl)-methylamino]butanoate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N(C)CCCC(=O)OC

DOS

IR

Vibrations