Geometry & MOs

Info

ID:	206290
PubChem CID:	80226533
Reduced:	OSN4C15H26 (1)
Stoich.:	ABC4D15E26 (1)
Weight, g/mol:	297.168856
ΔH_f, kcal/mol:	-35.48
Dipole, Da:	5.8
IP(EA), eV:	-8.96(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropylmethyl-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC1(C(=O)N(CCN1C2=NC=C(S2)CNC(C)(C)C)C)C

DOS

IR

Vibrations