Geometry & MOs

Info

ID:	419542
PubChem CID:	135108398
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	321.241627
ΔH_f, kcal/mol:	-45.88
Dipole, Da:	4.88
IP(EA), eV:	-8.54(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CCC4=CC=C(C=C4)O

DOS

IR

Vibrations