Geometry & MOs

Info

ID:	297602
PubChem CID:	117623333
Reduced:	N2O4C27H36 (1)
Stoich.:	A2B4C27D36 (1)
Weight, g/mol:	487.293388
ΔH_f, kcal/mol:	-132.25
Dipole, Da:	3.53
IP(EA), eV:	-9.0(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[3,4-bis(hydroxymethyl)phenyl]-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpentanoate

Drug info:

PubChemData

Smile

CC(C)C(CCCN(C)CCC1=CC(=CC=C1)C(=O)OC)(C#N)C2=CC(=C(C=C2)CO)CO

DOS

IR

Vibrations