Geometry & MOs

Info

ID:	258612
PubChem CID:	103155615
Reduced:	N2O4C9H18 (1)
Stoich.:	A2B4C9D18 (1)
Weight, g/mol:	216.147393
ΔH_f, kcal/mol:	-189.99
Dipole, Da:	3.29
IP(EA), eV:	-9.44(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methoxybutan-1-one

Drug info:

PubChemData

Smile

COC(CC(=O)NCCC(=O)OC)CN

DOS

IR

Vibrations