Geometry & MOs

Info

ID:	258636
PubChem CID:	103155826
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	257.210327
ΔH_f, kcal/mol:	-104.73
Dipole, Da:	3.63
IP(EA), eV:	-9.41(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)CNC(=O)CC(CN)OC

DOS

IR

Vibrations