Geometry & MOs

Info

ID:	443752
PubChem CID:	135259918
Reduced:	NO2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	453.262757
ΔH_f, kcal/mol:	-187.7
Dipole, Da:	4.07
IP(EA), eV:	-9.46(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3R,5S)-3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC1CN(CC(N1C(=O)C2CCCO2)C)C(=O)O

DOS

IR

Vibrations