Geometry & MOs

Info

ID:	58624
PubChem CID:	24712319
Reduced:	ClON3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	347.140055
ΔH_f, kcal/mol:	-18.12
Dipole, Da:	6.06
IP(EA), eV:	-9.37(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)CN(CC1=NC=CN1CC2=CC(=CC=C2)Cl)C(=O)C

DOS

IR

Vibrations