Geometry & MOs

Info

ID:	197880
PubChem CID:	79010480
Reduced:	N2O3C14H26 (1)
Stoich.:	A2B3C14D26 (1)
Weight, g/mol:	257.173942
ΔH_f, kcal/mol:	-180.35
Dipole, Da:	7.22
IP(EA), eV:	-9.98(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3,4-dimethylpiperazine-1-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)CNC(=O)N[C@H](C(C)C)C(=O)O

DOS

IR

Vibrations