Geometry & MOs

Info

ID:	258720
PubChem CID:	103156607
Reduced:	N3O4C11H23 (1)
Stoich.:	A3B4C11D23 (1)
Weight, g/mol:	242.199428
ΔH_f, kcal/mol:	-188.46
Dipole, Da:	2.5
IP(EA), eV:	-9.49(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-(3-tert-butylpyrrolidin-1-yl)-3-methoxybutan-1-one

Drug info:

PubChemData

Smile

COCCNC(=O)CCNC(=O)CC(CN)OC

DOS

IR

Vibrations