Geometry & MOs

Info

ID:	264463
PubChem CID:	103463240
Reduced:	N2O3C16H30 (1)
Stoich.:	A2B3C16D30 (1)
Weight, g/mol:	285.205242
ΔH_f, kcal/mol:	-191.13
Dipole, Da:	7.78
IP(EA), eV:	-9.88(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,2-dimethylbutylcarbamoyl)piperazin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC1CCC(CC1)(C(=O)O)NC(=O)NCC(C)(C)CC

DOS

IR

Vibrations