Geometry & MOs

Info

ID:	187536
PubChem CID:	77586271
Reduced:	O2Br3N3H16C19 (1)
Stoich.:	A2B3C3D16E19 (1)
Weight, g/mol:	577.290034
ΔH_f, kcal/mol:	44.58
Dipole, Da:	6.65
IP(EA), eV:	-9.14(-2.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-[1-[1-[2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazin-2-yl]ethoxy]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CC(OC2N=CC(=C3C=C(C(=O)C(=C3)Br)Br)N=N2)Br

DOS

IR

Vibrations