Geometry & MOs

Info

ID:	197747
PubChem CID:	78991595
Reduced:	N3C14H19 (1)
Stoich.:	A3B14C19 (1)
Weight, g/mol:	244.178693
ΔH_f, kcal/mol:	31.35
Dipole, Da:	3.3
IP(EA), eV:	-8.93(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-methyl-2-(2-methylbutylcarbamoylamino)pentanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)CNCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations