Geometry & MOs

Info

ID:	150367
PubChem CID:	53790056
Reduced:	ClBr2O2C20H23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	441.216475
ΔH_f, kcal/mol:	-62.86
Dipole, Da:	3.13
IP(EA), eV:	-9.39(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1COC(=O)[C@@H]2[C@@H](C2(C)C)C=C(Br)Br)C)CC=CCl

DOS

IR

Vibrations