Geometry & MOs

Info

ID:	126740
PubChem CID:	50976242
Reduced:	SN5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	81.64
Dipole, Da:	3.05
IP(EA), eV:	-8.7(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(3-hydroxyphenyl)-4-phenylimidazol-1-yl]ethyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)N(C)CCC3=CNN=C3)C

DOS

IR

Vibrations