Geometry & MOs

Info

ID:	130187
PubChem CID:	51075190
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	317.119798
ΔH_f, kcal/mol:	-49.27
Dipole, Da:	2.74
IP(EA), eV:	-8.4(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylazepan-2-one

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC(=O)N(C)CCOC2=CC=C(C=C2)OC

DOS

IR

Vibrations