Geometry & MOs

Info

ID:	80714
PubChem CID:	49836270
Reduced:	O2N3C27H31 (1)
Stoich.:	A2B3C27D31 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-25.77
Dipole, Da:	8.68
IP(EA), eV:	-8.9(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(1S)-1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]phenol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)C#N)[C@H]3CC[C@H](C3)N(C)CC4=CC=CC=C4

DOS

IR

Vibrations