Geometry & MOs

Info

ID:	415269
PubChem CID:	135088261
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	17.22
Dipole, Da:	3.89
IP(EA), eV:	-8.94(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)butanamide

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)NCC2=CC(=CC=C2)CN3CCCC3)C4CC(C4)N

DOS

IR

Vibrations