Geometry & MOs

Info

ID:	234673
PubChem CID:	92303284
Reduced:	ClO2N3C24H26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	423.171355
ΔH_f, kcal/mol:	-24.03
Dipole, Da:	9.49
IP(EA), eV:	-9.18(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N(C[C@@H]2CCCO2)CC3=NC=CN3CC4=CC=CC=C4Cl

DOS

IR

Vibrations