Geometry & MOs

Info

ID:	418727
PubChem CID:	135106648
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-80.08
Dipole, Da:	4.23
IP(EA), eV:	-8.7(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfanyl-1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CCCC3)C(=O)NCC4(CC4)CO

DOS

IR

Vibrations