Geometry & MOs

Info

ID:	416585
PubChem CID:	135089733
Reduced:	N3O5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-108.85
Dipole, Da:	9.51
IP(EA), eV:	-8.86(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C=C(C=N2)CN3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O

DOS

IR

Vibrations