Geometry & MOs

Info

ID:	183999
PubChem CID:	77101184
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	254.163043
ΔH_f, kcal/mol:	-56.08
Dipole, Da:	4.59
IP(EA), eV:	-9.59(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-carbamoylpiperidin-1-yl)-2-ethylbut-2-enoate

Drug info:

PubChemData

Smile

CCC1=NN(C(=N1)CC)CC=C(CC)C(=O)OC

DOS

IR

Vibrations