Geometry & MOs

Info

ID:	252097
PubChem CID:	103109117
Reduced:	ClO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	215.163377
ΔH_f, kcal/mol:	-20.51
Dipole, Da:	3.82
IP(EA), eV:	-10.15(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=C2)CCl

DOS

IR

Vibrations