Geometry & MOs

Info

ID:	197659
PubChem CID:	78984531
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	254.163043
ΔH_f, kcal/mol:	-97.41
Dipole, Da:	3.32
IP(EA), eV:	-8.11(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]propanoate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)NC(=O)CCCOCC)N

DOS

IR

Vibrations