Geometry & MOs

Info

ID:	323463
PubChem CID:	126674896
Reduced:	ON3C12H16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-7.13
Dipole, Da:	3.03
IP(EA), eV:	-8.12(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopentyloxymethyl)-4-methoxybenzene

Drug info:

PubChemData

Smile

CC(C)N1C[C@@H](C(C1)OCC2=CC=CC=C2)NC(=O)C3=C(N=CC(=C3)/C(=C/N)/C=NC)N

DOS

IR

Vibrations