Geometry & MOs

Info

ID:	261949
PubChem CID:	103261079
Reduced:	NOC6H11 (2)
Stoich.:	ABC6D11 (2)
Weight, g/mol:	227.163377
ΔH_f, kcal/mol:	-88.22
Dipole, Da:	4.5
IP(EA), eV:	-8.64(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-4-[(4-methylpiperazin-1-yl)amino]but-2-enoate

Drug info:

PubChemData

Smile

CC1CCCC(N1NC/C=C(/C)\C(=O)O)C

DOS

IR

Vibrations