Geometry & MOs

Info

ID:	239949
PubChem CID:	93373796
Reduced:	O3N4C12H22 (1)
Stoich.:	A3B4C12D22 (1)
Weight, g/mol:	270.169191
ΔH_f, kcal/mol:	-157.72
Dipole, Da:	4.13
IP(EA), eV:	-9.22(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2,4-diamino-4-oxobutanoyl]-N-ethylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1CCN(CC1)C(=O)[C@@H](CC(=O)N)N

DOS

IR

Vibrations