Geometry & MOs

Info

ID:	290158
PubChem CID:	104415601
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	230.126657
ΔH_f, kcal/mol:	-44.66
Dipole, Da:	3.43
IP(EA), eV:	-8.32(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CCCNC1=C(C=CC=N1)CN(C)CC(=O)NCC(C)C

DOS

IR

Vibrations