Geometry & MOs

Info

ID:	234682
PubChem CID:	92303298
Reduced:	Cl2O2N3C20H23 (1)
Stoich.:	A2B2C3D20E23 (1)
Weight, g/mol:	417.241627
ΔH_f, kcal/mol:	-35.84
Dipole, Da:	4.31
IP(EA), eV:	-9.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN(CC2=NC=CN2CC3=CC(=C(C=C3)Cl)Cl)C(=O)C4CC4

DOS

IR

Vibrations