Geometry & MOs

Info

ID:	169870
PubChem CID:	75159496
Reduced:	ClO2N5C27H34 (1)
Stoich.:	AB2C5D27E34 (1)
Weight, g/mol:	444.241293
ΔH_f, kcal/mol:	-34.83
Dipole, Da:	2.17
IP(EA), eV:	-8.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-cyclohexylphenyl)-N-(2-phenylmethoxycyclopentyl)-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3C4CN(CCC4NN3)C(=O)CC5=CC(=CC=C5)Cl

DOS

IR

Vibrations