Geometry & MOs

Info

ID:	252017
PubChem CID:	103108499
Reduced:	O2N3C12H23 (1)
Stoich.:	A2B3C12D23 (1)
Weight, g/mol:	216.147393
ΔH_f, kcal/mol:	-91.5
Dipole, Da:	7.09
IP(EA), eV:	-9.35(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoic acid

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(C)C(=O)NCC=C

DOS

IR

Vibrations