Geometry & MOs

Info

ID:	261775
PubChem CID:	103250262
Reduced:	N2O3C15H24 (1)
Stoich.:	A2B3C15D24 (1)
Weight, g/mol:	226.168128
ΔH_f, kcal/mol:	-120.76
Dipole, Da:	7.2
IP(EA), eV:	-8.92(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)CNCC(C)CN2CCCC2)C(=O)O

DOS

IR

Vibrations