Geometry & MOs

Info

ID:	180165
PubChem CID:	76587666
Reduced:	BrN2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	503.253255
ΔH_f, kcal/mol:	-38.7
Dipole, Da:	2.33
IP(EA), eV:	-8.65(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-N-[2-(cyclohexen-1-yl)-6-(1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl)pyridin-3-yl]-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1(OC2C(O1)C3(CC(CC2(O3)C)C4=NC(=C(C=C4)N)Br)C)C

DOS

IR

Vibrations