Geometry & MOs

Info

ID:	274636
PubChem CID:	103810744
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	-122.38
Dipole, Da:	3.82
IP(EA), eV:	-9.47(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-4-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

CC(C)C(CCO)NC(=O)CC1(CCC1)N

DOS

IR

Vibrations