Geometry & MOs

Info

ID:	163323
PubChem CID:	57744056
Reduced:	ON2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	542.300539
ΔH_f, kcal/mol:	-15.98
Dipole, Da:	6.43
IP(EA), eV:	-8.9(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazol-4-yl]-[(2R)-2-(2-indazol-2-ylethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](C1)O)N2C=NC(=C2C3=CC=CC=C3)C(=O)N4CCNC[C@H]4CC5=CC=CC=C5

DOS

IR

Vibrations