Geometry & MOs

Info

ID:	274581
PubChem CID:	103810314
Reduced:	ClO2N3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	229.179027
ΔH_f, kcal/mol:	-84.08
Dipole, Da:	4.63
IP(EA), eV:	-9.03(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N,3,3-trimethyl-N-[3-(methylamino)-3-oxopropyl]butanamide

Drug info:

PubChemData

Smile

CNC(=O)CCN(C)C(=O)C1=C(C=C(C=C1)N)Cl

DOS

IR

Vibrations