Geometry & MOs

Info

ID:	294247
PubChem CID:	117442635
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-53.46
Dipole, Da:	2.19
IP(EA), eV:	-8.6(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1OC)C2=NOC(=C2)N)OC

DOS

IR

Vibrations