Geometry & MOs

Info

ID:	307617
PubChem CID:	125307764
Reduced:	N3O5C26H27 (1)
Stoich.:	A3B5C26D27 (1)
Weight, g/mol:	453.226371
ΔH_f, kcal/mol:	-78.3
Dipole, Da:	4.27
IP(EA), eV:	-8.41(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-(5-phenylmethoxy-2H-indol-3-yl)acetic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@H]2C3=C(NC4=C2C(=O)C[C@H](C4)C5=CC(=C(C=C5)OC)OC)N=N[C@@H]3O

DOS

IR

Vibrations