Geometry & MOs

Info

ID:	183822
PubChem CID:	77074220
Reduced:	ClNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-68.16
Dipole, Da:	7.36
IP(EA), eV:	-9.15(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-4-(4-propylpiperazin-1-yl)but-2-enoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)N(C)CC=C(C)C(=O)O

DOS

IR

Vibrations