Geometry & MOs

Info

ID:	258442
PubChem CID:	103154062
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	186.136828
ΔH_f, kcal/mol:	-65.44
Dipole, Da:	3.61
IP(EA), eV:	-9.08(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(cyclopropylmethyl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)N1CCC2=C(C1)C=CS2)CN

DOS

IR

Vibrations